 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer06_STD_wB97XD_augccpVDZ.in
 Output=21_phenylethanol_conformer06_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-6885.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      6900.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=21_phenylethanol_conformer06_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:10:07 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "21_phenylethanol_conformer06_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                 2.162345000000     -1.239247000000      0.453644000000
  C                                                 1.655725000000     -0.158939000000     -0.341230000000
  H                                                 1.881072000000     -1.094176000000      1.365099000000
  H                                                 1.854813000000     -0.482019000000     -1.367262000000
  C                                                 2.446699000000      1.114652000000     -0.080136000000
  C                                                 0.150796000000     -0.029950000000     -0.174166000000
  H                                                 2.272946000000      1.486730000000      0.932505000000
  H                                                 2.181966000000      1.904257000000     -0.785239000000
  H                                                 3.509095000000      0.900115000000     -0.189137000000
  C                                                -0.489673000000      1.190819000000      0.026062000000
  C                                                -1.872964000000      1.254695000000      0.167928000000
  C                                                -2.635845000000      0.097346000000      0.110092000000
  C                                                -2.007097000000     -1.127866000000     -0.090783000000
  C                                                -0.628986000000     -1.188612000000     -0.232307000000
  H                                                 0.084690000000      2.105244000000      0.074595000000
  H                                                -2.351327000000      2.213069000000      0.325179000000
  H                                                -3.711408000000      0.146804000000      0.220623000000
  H                                                -2.593574000000     -2.036616000000     -0.139348000000
  H                                                -0.138964000000     -2.142300000000     -0.378921000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 22:10:07 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        2.162345   -1.239247    0.453644
      2          6           0        1.655725   -0.158939   -0.341230
      3          1           0        1.881072   -1.094176    1.365099
      4          1           0        1.854813   -0.482019   -1.367262
      5          6           0        2.446699    1.114652   -0.080136
      6          6           0        0.150796   -0.029950   -0.174166
      7          1           0        2.272946    1.486730    0.932505
      8          1           0        2.181966    1.904257   -0.785239
      9          1           0        3.509095    0.900115   -0.189137
     10          6           0       -0.489673    1.190819    0.026062
     11          6           0       -1.872964    1.254695    0.167928
     12          6           0       -2.635845    0.097346    0.110092
     13          6           0       -2.007097   -1.127866   -0.090783
     14          6           0       -0.628986   -1.188612   -0.232307
     15          1           0        0.084690    2.105244    0.074595
     16          1           0       -2.351327    2.213069    0.325179
     17          1           0       -3.711408    0.146804    0.220623
     18          1           0       -2.593574   -2.036616   -0.139348
     19          1           0       -0.138964   -2.142300   -0.378921
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.433720   0.000000
     3  H    0.964837   1.958828   0.000000
     4  H    1.995913   1.093965   2.800218   0.000000
     5  C    2.430354   1.521790   2.699548   2.134568   0.000000
     6  C    2.429583   1.519658   2.548680   2.128736   2.567124
     7  H    2.769926   2.170620   2.646087   3.056098   1.092737
     8  H    3.378881   2.175052   3.702039   2.477921   1.091206
     9  H    2.608404   2.140025   3.007209   2.456608   1.089308
    10  C    3.622326   2.561149   3.554526   3.199430   2.939279
    11  C    4.752378   3.835264   4.587287   4.389682   4.329046
    12  C    4.992708   4.322840   4.837076   4.762798   5.186844
    13  C    4.206311   3.797079   4.151938   4.118357   4.986512
    14  C    2.874825   2.508385   2.976746   2.820754   3.845519
    15  H    3.955496   2.787039   3.889560   3.450539   2.565989
    16  H    5.684032   4.703933   5.471061   5.274417   4.938811
    17  H    6.039570   5.405116   5.841720   5.822337   6.240951
    18  H    4.858621   4.650050   4.813939   4.869568   5.944607
    19  H    2.608581   2.675079   2.867179   2.776418   4.169252
                    6          7          8          9         10
     6  C    0.000000
     7  H    2.833471   0.000000
     8  H    2.870578   1.770099   0.000000
     9  H    3.484741   1.769255   1.767742   0.000000
    10  C    1.393043   2.922544   2.881815   4.015092   0.000000
    11  C    2.421352   4.222202   4.215794   5.405532   1.392013
    12  C    2.803993   5.167493   5.222820   6.204375   2.410145
    13  C    2.422576   5.118789   5.217690   5.877989   2.773541
    14  C    1.397833   4.115270   4.215806   4.635554   2.397468
    15  H    2.150652   2.430439   2.275583   3.639841   1.080935
    16  H    3.397219   4.720203   4.677514   6.027679   2.144813
    17  H    3.886350   6.173708   6.231553   7.271248   3.392256
    18  H    3.399925   6.102938   6.225226   6.772698   3.856176
    19  H    2.141940   4.550495   4.682567   4.754013   3.375898
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.387368   0.000000
    13  C    2.400317   1.391697   0.000000
    14  C    2.770815   2.407988   1.386690   0.000000
    15  H    2.136482   3.381453   3.854338   3.384230   0.000000
    16  H    1.082608   2.145576   3.384282   3.853399   2.451244
    17  H    2.147109   1.082358   2.150915   3.389662   4.274011
    18  H    3.383257   2.148907   1.082654   2.141812   4.936990
    19  H    3.852970   3.389626   2.145232   1.082191   4.277538
                   16         17         18         19
    16  H    0.000000
    17  H    2.475925   0.000000
    18  H    4.281856   2.479204   0.000000
    19  H    4.935539   4.285068   2.468537   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.54D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        2.162345   -1.239247    0.453644
      2          6           0        1.655725   -0.158939   -0.341230
      3          1           0        1.881072   -1.094176    1.365099
      4          1           0        1.854813   -0.482019   -1.367262
      5          6           0        2.446699    1.114653   -0.080136
      6          6           0        0.150796   -0.029950   -0.174166
      7          1           0        2.272946    1.486730    0.932505
      8          1           0        2.181966    1.904257   -0.785239
      9          1           0        3.509095    0.900116   -0.189137
     10          6           0       -0.489673    1.190819    0.026062
     11          6           0       -1.872964    1.254695    0.167928
     12          6           0       -2.635845    0.097345    0.110092
     13          6           0       -2.007097   -1.127866   -0.090783
     14          6           0       -0.628986   -1.188612   -0.232307
     15          1           0        0.084690    2.105244    0.074595
     16          1           0       -2.351327    2.213068    0.325179
     17          1           0       -3.711408    0.146803    0.220623
     18          1           0       -2.593574   -2.036617   -0.139348
     19          1           0       -0.138963   -2.142300   -0.378921
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4591964           1.1778731           0.9168715
 Leave Link  202 at Thu Aug 12 22:10:08 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 332 were deleted.
 There are   315 symmetry adapted cartesian basis functions of A   symmetry.
 There are   297 symmetry adapted basis functions of A   symmetry.
   297 basis functions,   543 primitive gaussians,   315 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.2302688959 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0103823566 Hartrees.
 Nuclear repulsion after empirical dispersion term =      425.2198865392 Hartrees.
 Leave Link  301 at Thu Aug 12 22:10:10 2021, MaxMem=  5368709120 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   297 RedAO= T EigKep=  1.71D-06  NBF=   297
 NBsUse=   297 1.00D-06 EigRej= -1.00D+00 NBFU=   297
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   315   315   315   315   315 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 22:10:11 2021, MaxMem=  5368709120 cpu:               3.9 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:10:11 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer06_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:10:12 2021, MaxMem=  5368709120 cpu:               3.9 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368505071 LenY=  5368405405
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -386.009276827617    
 DIIS: error= 2.61D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -386.009276827617     IErMin= 1 ErrMin= 2.61D-03
 ErrMax= 2.61D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.82D-03 BMatP= 4.82D-03
 IDIUse=3 WtCom= 9.74D-01 WtEn= 2.61D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.375 Goal=   None    Shift=    0.000
 GapD=    0.375 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.13D-02 MaxDP=3.28D+00              OVMax= 1.37D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.40D-02    CP:  1.47D+00
 E= -386.013125887386     Delta-E=       -0.003849059769 Rises=F Damp=F
 DIIS: error= 2.54D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -386.013125887386     IErMin= 2 ErrMin= 2.54D-04
 ErrMax= 2.54D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.34D-05 BMatP= 4.82D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.54D-03
 Coeff-Com: -0.522D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.520D-01 0.105D+01
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=8.35D-03 MaxDP=5.43D-01 DE=-3.85D-03 OVMax= 3.95D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.28D-03    CP:  1.55D+00  1.16D+00
 E= -386.013227717333     Delta-E=       -0.000101829947 Rises=F Damp=F
 DIIS: error= 1.77D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -386.013227717333     IErMin= 3 ErrMin= 1.77D-04
 ErrMax= 1.77D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.83D-05 BMatP= 7.34D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.77D-03
 Coeff-Com: -0.340D-01 0.453D+00 0.581D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.339D-01 0.452D+00 0.582D+00
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=5.05D-04 MaxDP=3.00D-02 DE=-1.02D-04 OVMax= 1.54D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.41D-05    CP:  1.56D+00  1.17D+00  1.08D+00
 E= -386.013256748623     Delta-E=       -0.000029031290 Rises=F Damp=F
 DIIS: error= 5.43D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -386.013256748623     IErMin= 4 ErrMin= 5.43D-05
 ErrMax= 5.43D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.97D-06 BMatP= 3.83D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.424D-03-0.537D-01 0.171D+00 0.883D+00
 Coeff:     -0.424D-03-0.537D-01 0.171D+00 0.883D+00
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=3.04D-04 MaxDP=1.84D-02 DE=-2.90D-05 OVMax= 6.07D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.05D-05    CP:  1.56D+00  1.17D+00  1.15D+00  1.48D+00
 E= -386.013260000863     Delta-E=       -0.000003252239 Rises=F Damp=F
 DIIS: error= 1.79D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -386.013260000863     IErMin= 5 ErrMin= 1.79D-05
 ErrMax= 1.79D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.74D-07 BMatP= 2.97D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.230D-02-0.484D-01 0.845D-02 0.251D+00 0.786D+00
 Coeff:      0.230D-02-0.484D-01 0.845D-02 0.251D+00 0.786D+00
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=2.61D-05 MaxDP=1.60D-03 DE=-3.25D-06 OVMax= 1.70D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.33D-05    CP:  1.56D+00  1.17D+00  1.16D+00  1.55D+00  1.32D+00
 E= -386.013260231657     Delta-E=       -0.000000230794 Rises=F Damp=F
 DIIS: error= 5.40D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -386.013260231657     IErMin= 6 ErrMin= 5.40D-06
 ErrMax= 5.40D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.99D-08 BMatP= 1.74D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.656D-03-0.968D-02-0.896D-02 0.777D-02 0.257D+00 0.753D+00
 Coeff:      0.656D-03-0.968D-02-0.896D-02 0.777D-02 0.257D+00 0.753D+00
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=1.68D-05 MaxDP=9.84D-04 DE=-2.31D-07 OVMax= 6.63D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.71D-06    CP:  1.56D+00  1.17D+00  1.16D+00  1.60D+00  1.38D+00
                    CP:  1.07D+00
 E= -386.013260257651     Delta-E=       -0.000000025994 Rises=F Damp=F
 DIIS: error= 1.61D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -386.013260257651     IErMin= 7 ErrMin= 1.61D-06
 ErrMax= 1.61D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.52D-09 BMatP= 1.99D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.210D-04 0.223D-02-0.403D-02-0.291D-01-0.649D-02 0.257D+00
 Coeff-Com:  0.780D+00
 Coeff:     -0.210D-04 0.223D-02-0.403D-02-0.291D-01-0.649D-02 0.257D+00
 Coeff:      0.780D+00
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=8.55D-06 MaxDP=5.57D-04 DE=-2.60D-08 OVMax= 2.40D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.36D-06    CP:  1.56D+00  1.17D+00  1.16D+00  1.61D+00  1.40D+00
                    CP:  1.16D+00  1.14D+00
 E= -386.013260261189     Delta-E=       -0.000000003538 Rises=F Damp=F
 DIIS: error= 7.21D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -386.013260261189     IErMin= 8 ErrMin= 7.21D-07
 ErrMax= 7.21D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.53D-10 BMatP= 2.52D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.813D-04 0.190D-02-0.520D-03-0.127D-01-0.317D-01 0.179D-01
 Coeff-Com:  0.318D+00 0.707D+00
 Coeff:     -0.813D-04 0.190D-02-0.520D-03-0.127D-01-0.317D-01 0.179D-01
 Coeff:      0.318D+00 0.707D+00
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=1.77D-06 MaxDP=9.19D-05 DE=-3.54D-09 OVMax= 9.86D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.67D-07    CP:  1.56D+00  1.17D+00  1.16D+00  1.61D+00  1.41D+00
                    CP:  1.17D+00  1.20D+00  1.00D+00
 E= -386.013260261719     Delta-E=       -0.000000000531 Rises=F Damp=F
 DIIS: error= 1.30D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -386.013260261719     IErMin= 9 ErrMin= 1.30D-07
 ErrMax= 1.30D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.52D-11 BMatP= 3.53D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.141D-04 0.193D-03 0.190D-03-0.139D-03-0.561D-02-0.162D-01
 Coeff-Com: -0.235D-02 0.136D+00 0.888D+00
 Coeff:     -0.141D-04 0.193D-03 0.190D-03-0.139D-03-0.561D-02-0.162D-01
 Coeff:     -0.235D-02 0.136D+00 0.888D+00
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=3.71D-07 MaxDP=1.84D-05 DE=-5.31D-10 OVMax= 2.63D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.22D-07    CP:  1.56D+00  1.17D+00  1.16D+00  1.61D+00  1.41D+00
                    CP:  1.17D+00  1.22D+00  1.08D+00  1.06D+00
 E= -386.013260261724     Delta-E=       -0.000000000005 Rises=F Damp=F
 DIIS: error= 6.70D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -386.013260261724     IErMin=10 ErrMin= 6.70D-08
 ErrMax= 6.70D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.97D-12 BMatP= 1.52D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.635D-05-0.197D-03 0.140D-03 0.181D-02 0.250D-02-0.821D-02
 Coeff-Com: -0.458D-01-0.494D-01 0.312D+00 0.787D+00
 Coeff:      0.635D-05-0.197D-03 0.140D-03 0.181D-02 0.250D-02-0.821D-02
 Coeff:     -0.458D-01-0.494D-01 0.312D+00 0.787D+00
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=1.96D-07 MaxDP=1.14D-05 DE=-5.00D-12 OVMax= 1.63D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.13D-08    CP:  1.56D+00  1.17D+00  1.16D+00  1.61D+00  1.41D+00
                    CP:  1.17D+00  1.22D+00  1.09D+00  1.11D+00  1.18D+00
 E= -386.013260261766     Delta-E=       -0.000000000041 Rises=F Damp=F
 DIIS: error= 3.41D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -386.013260261766     IErMin=11 ErrMin= 3.41D-08
 ErrMax= 3.41D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.66D-13 BMatP= 2.97D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.276D-05-0.628D-04 0.742D-05 0.419D-03 0.103D-02-0.183D-03
 Coeff-Com: -0.971D-02-0.238D-01-0.132D-01 0.171D+00 0.874D+00
 Coeff:      0.276D-05-0.628D-04 0.742D-05 0.419D-03 0.103D-02-0.183D-03
 Coeff:     -0.971D-02-0.238D-01-0.132D-01 0.171D+00 0.874D+00
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=4.63D-08 MaxDP=2.79D-06 DE=-4.15D-11 OVMax= 6.68D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.49D-08    CP:  1.56D+00  1.17D+00  1.16D+00  1.61D+00  1.41D+00
                    CP:  1.17D+00  1.22D+00  1.09D+00  1.11D+00  1.24D+00
                    CP:  1.07D+00
 E= -386.013260261746     Delta-E=        0.000000000020 Rises=F Damp=F
 DIIS: error= 1.51D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -386.013260261766     IErMin=12 ErrMin= 1.51D-08
 ErrMax= 1.51D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.53D-14 BMatP= 2.66D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.494D-06 0.217D-04-0.283D-04-0.244D-03-0.201D-03 0.175D-02
 Coeff-Com:  0.639D-02 0.225D-02-0.685D-01-0.108D+00 0.278D+00 0.888D+00
 Coeff:     -0.494D-06 0.217D-04-0.283D-04-0.244D-03-0.201D-03 0.175D-02
 Coeff:      0.639D-02 0.225D-02-0.685D-01-0.108D+00 0.278D+00 0.888D+00
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=1.02D-08 MaxDP=3.96D-07 DE= 1.97D-11 OVMax= 4.14D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  6.85D-09    CP:  1.56D+00  1.17D+00  1.16D+00  1.61D+00  1.41D+00
                    CP:  1.17D+00  1.22D+00  1.09D+00  1.10D+00  1.25D+00
                    CP:  1.15D+00  1.15D+00
 E= -386.013260261733     Delta-E=        0.000000000013 Rises=F Damp=F
 DIIS: error= 8.13D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -386.013260261766     IErMin=13 ErrMin= 8.13D-09
 ErrMax= 8.13D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.02D-14 BMatP= 6.53D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.538D-06 0.159D-04-0.900D-05-0.138D-03-0.217D-03 0.572D-03
 Coeff-Com:  0.336D-02 0.424D-02-0.186D-01-0.605D-01-0.548D-01 0.270D+00
 Coeff-Com:  0.856D+00
 Coeff:     -0.538D-06 0.159D-04-0.900D-05-0.138D-03-0.217D-03 0.572D-03
 Coeff:      0.336D-02 0.424D-02-0.186D-01-0.605D-01-0.548D-01 0.270D+00
 Coeff:      0.856D+00
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=7.56D-09 MaxDP=4.43D-07 DE= 1.33D-11 OVMax= 1.68D-07

 SCF Done:  E(RwB97XD) =  -386.013260262     A.U. after   13 cycles
            NFock= 13  Conv=0.76D-08     -V/T= 2.0061
 KE= 3.836916440794D+02 PE=-1.748037536043D+03 EE= 5.531127451628D+02
 Leave Link  502 at Thu Aug 12 22:14:25 2021, MaxMem=  5368709120 cpu:            2010.2 elap:             251.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   297
 NBasis=   297 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    297 NOA=    33 NOB=    33 NVA=   264 NVB=   264

 **** Warning!!: The largest alpha MO coefficient is  0.14791159D+03

 Leave Link  801 at Thu Aug 12 22:14:25 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5873 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.45D-13 8.33D-09 XBig12= 1.00D+00 3.60D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.45D-13 8.33D-09 XBig12= 2.10D-01 8.34D-02.
     11 vectors produced by pass  2 Test12= 1.45D-13 8.33D-09 XBig12= 3.78D-02 4.59D-02.
     11 vectors produced by pass  3 Test12= 1.45D-13 8.33D-09 XBig12= 2.89D-03 1.12D-02.
     11 vectors produced by pass  4 Test12= 1.45D-13 8.33D-09 XBig12= 2.24D-04 2.83D-03.
     11 vectors produced by pass  5 Test12= 1.45D-13 8.33D-09 XBig12= 9.56D-06 5.02D-04.
     11 vectors produced by pass  6 Test12= 1.45D-13 8.33D-09 XBig12= 3.97D-07 1.14D-04.
     11 vectors produced by pass  7 Test12= 1.45D-13 8.33D-09 XBig12= 9.72D-09 1.76D-05.
     11 vectors produced by pass  8 Test12= 1.45D-13 8.33D-09 XBig12= 2.14D-10 2.27D-06.
     10 vectors produced by pass  9 Test12= 1.45D-13 8.33D-09 XBig12= 4.21D-12 3.08D-07.
      7 vectors produced by pass 10 Test12= 1.45D-13 8.33D-09 XBig12= 1.01D-13 4.20D-08.
      1 vectors produced by pass 11 Test12= 1.45D-13 8.33D-09 XBig12= 4.79D-15 8.46D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension   117 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.129695D+03
      2  0.136059D+01  0.107907D+03
      3 -0.282997D+01  0.273712D+01  0.711516D+02
 Isotropic polarizability for W=    0.085645      102.92 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.944911D+02 -0.900284D+01  0.100567D+02
      2   0.444993D+02  0.240440D+02 -0.460368D+01
      3   0.499917D+02 -0.150411D+02 -0.545303D+01
      4   0.238443D+02 -0.724393D+02 -0.166071D+02
      5   0.620567D+01 -0.167687D+02  0.531960D+01
      6  -0.537441D+01 -0.265402D+01  0.136264D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.121486D+01 -0.399012D+01 -0.617720D+01
      2   0.127719D+02 -0.686929D+01  0.165569D+01
      3   0.114175D+02  0.407677D+02  0.673798D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.161662D+00  0.194966D+01 -0.286676D+02
      2   0.385104D+01 -0.112327D+02 -0.446721D+02
      3   0.328471D+02  0.116939D+03  0.113943D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.106069D+00 -0.147035D+01 -0.787629D+00
      2  -0.147035D+01  0.116825D+01 -0.157255D+01
      3  -0.787629D+00 -0.157255D+01  0.213672D-01
 OR G Eigenvalues:    -2.2032     0.7403     2.5465  Iso=    -0.3612
 Eigenvectors:
   (1)   0.599652   0.537887   0.592533
   (2)   0.723190  -0.047198  -0.689034
   (3)  -0.342656   0.841695  -0.417297
 w=    0.085645 a.u., Optical Rotation Beta=     -0.3612 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =     -140.22 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   44253 ScalPx= 1.98D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.54D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.42D-14 2.78D-09 XBig12= 1.00D+00 4.62D-01.
     30 vectors produced by pass  1 Test12= 2.42D-14 2.78D-09 XBig12= 5.59D-02 3.94D-02.
     30 vectors produced by pass  2 Test12= 2.42D-14 2.78D-09 XBig12= 1.27D-03 5.07D-03.
     30 vectors produced by pass  3 Test12= 2.42D-14 2.78D-09 XBig12= 1.59D-05 6.35D-04.
     30 vectors produced by pass  4 Test12= 2.42D-14 2.78D-09 XBig12= 2.90D-07 7.17D-05.
     30 vectors produced by pass  5 Test12= 2.42D-14 2.78D-09 XBig12= 3.18D-09 7.05D-06.
     30 vectors produced by pass  6 Test12= 2.42D-14 2.78D-09 XBig12= 2.68D-11 5.81D-07.
     30 vectors produced by pass  7 Test12= 2.42D-14 2.78D-09 XBig12= 1.92D-13 4.52D-08.
      5 vectors produced by pass  8 Test12= 2.42D-14 2.78D-09 XBig12= 2.38D-15 6.60D-09.
      2 vectors produced by pass  9 Test12= 2.42D-14 2.78D-09 XBig12= 6.83D-16 4.42D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.44D-15
 Solved reduced A of dimension   247 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 3.71D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 3.71D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.65D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.129695D+03  0.136059D+01 -0.282997D+01
      2   0.136059D+01  0.107907D+03  0.273712D+01
      3  -0.282997D+01  0.273712D+01  0.711516D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.121486D+01 -0.399012D+01 -0.617720D+01
      2   0.127719D+02 -0.686929D+01  0.165569D+01
      3   0.114175D+02  0.407677D+02  0.673798D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.944911D+02 -0.900284D+01  0.100567D+02
      2   0.444993D+02  0.240440D+02 -0.460368D+01
      3   0.499917D+02 -0.150411D+02 -0.545303D+01
      4   0.238443D+02 -0.724393D+02 -0.166071D+02
      5   0.620567D+01 -0.167687D+02  0.531960D+01
      6  -0.537441D+01 -0.265402D+01  0.136264D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.414232D+01 -0.251435D+01  0.106110D+01 -0.484927D+01  0.350933D+01
      2  -0.251435D+01  0.208498D+01 -0.916967D+00  0.350933D+01 -0.454536D+01
      3   0.106110D+01 -0.916967D+00  0.139816D+01 -0.678143D+00  0.139837D+01
                 6             7             8             9            10 
      1  -0.678143D+00 -0.350777D+00 -0.717496D+00  0.125057D+01 -0.385460D+01
      2   0.139837D+01 -0.717496D+00  0.296908D+00 -0.107811D+01  0.863107D+00
      3  -0.433724D+00  0.125057D+01 -0.107811D+01 -0.507543D+01  0.850044D+00
                11            12            13            14            15 
      1   0.863107D+00  0.850044D+00  0.232537D+01 -0.471253D+01  0.247666D+00
      2  -0.233127D+01  0.358714D+00 -0.471253D+01 -0.105683D+00 -0.905175D+00
      3   0.358714D+00 -0.782951D+00  0.247666D+00 -0.905175D+00  0.190610D+01
                16            17            18            19            20 
      1   0.240375D+01  0.191327D+00 -0.292222D+01 -0.801459D+00  0.166412D+00
      2   0.191327D+00 -0.103750D+01  0.291227D+01  0.166412D+00 -0.213820D+00
      3  -0.292222D+01  0.291227D+01  0.672781D+01  0.257856D+00  0.312343D+00
                21            22            23            24            25 
      1   0.257856D+00  0.479245D+00  0.129625D+00  0.852998D-01  0.223033D+01
      2   0.312343D+00  0.129625D+00 -0.529001D+00  0.597669D+00 -0.533136D+00
      3  -0.140704D+01  0.852998D-01  0.597669D+00  0.320251D+00  0.656239D+00
                26            27            28            29            30 
      1  -0.533136D+00  0.656239D+00  0.208649D+01 -0.433262D+00 -0.181314D+01
      2   0.175173D+01 -0.112819D+01 -0.433262D+00  0.669826D+00  0.307269D+00
      3  -0.112819D+01  0.695263D+01 -0.181314D+01  0.307269D+00  0.137295D+01
                31            32            33            34            35 
      1  -0.185095D+01  0.166591D+01  0.515171D+00 -0.474365D+01  0.679666D+00
      2   0.166591D+01 -0.114244D+01 -0.118370D+01  0.679666D+00 -0.153713D+01
      3   0.515171D+00 -0.118370D+01 -0.175200D+01  0.292088D+01 -0.191276D+01
                36            37            38            39            40 
      1   0.292088D+01 -0.722062D+01  0.229039D+01  0.896397D+00  0.455466D+01
      2  -0.191276D+01  0.229039D+01  0.286105D+01 -0.286455D+00  0.292079D+01
      3  -0.760528D+01  0.896397D+00 -0.286455D+00  0.154168D+01 -0.236559D+00
                41            42            43            44            45 
      1   0.292079D+01 -0.236559D+00  0.587185D+00  0.175551D+00  0.458703D+00
      2  -0.362844D+00  0.171971D+01  0.175551D+00  0.190163D+01 -0.388162D+01
      3   0.171971D+01 -0.392249D+01  0.458703D+00 -0.388162D+01 -0.377598D+01
                46            47            48            49            50 
      1   0.173010D+02 -0.216068D+01 -0.689913D+00 -0.205024D+01 -0.189075D+01
      2  -0.216068D+01  0.278081D+01 -0.547282D-01 -0.189075D+01 -0.177269D+00
      3  -0.689913D+00 -0.547282D-01  0.214171D+01 -0.501698D+00  0.196682D+00
                51            52            53            54            55 
      1  -0.501698D+00 -0.524373D+00 -0.455678D+00  0.397784D+01  0.197053D+00
      2   0.196682D+00 -0.455678D+00 -0.930147D-01 -0.332589D+00  0.346833D-01
      3  -0.552535D+00  0.397784D+01 -0.332589D+00 -0.137279D+01  0.638742D+00
                56            57            58            59            60 
      1   0.346833D-01  0.638742D+00  0.179540D+00  0.148862D+00  0.566708D-01
      2  -0.557702D+00 -0.121331D+00  0.148862D+00  0.176748D+01  0.109640D+01
      3  -0.121331D+00 -0.686343D+00  0.566708D-01  0.109640D+01  0.171717D+01
                61            62            63            64            65 
      1   0.211726D+01  0.751232D+00  0.610993D+00 -0.607745D+00  0.243188D+00
      2   0.751232D+00  0.212756D+01  0.230553D+01  0.243188D+00 -0.907659D+00
      3   0.610993D+00  0.230553D+01  0.602218D+01 -0.578965D+00  0.377838D+00
                66            67            68            69            70 
      1  -0.578965D+00  0.134442D+01  0.307175D+00 -0.323159D-01 -0.158071D+01
      2   0.377838D+00  0.307175D+00  0.509914D+01 -0.249045D+01 -0.517615D+00
      3  -0.612152D+00 -0.323159D-01 -0.249045D+01  0.261583D+01  0.102858D+00
                71            72            73            74            75 
      1  -0.517615D+00  0.102858D+00  0.121642D+02  0.468040D+00 -0.769709D+00
      2  -0.315532D+01  0.258313D+01  0.468040D+00  0.107453D+01 -0.372254D-02
      3   0.258313D+01 -0.283879D+01 -0.769709D+00 -0.372254D-02  0.110734D+01
                76            77            78            79            80 
      1  -0.197649D+01  0.773793D+00  0.653163D-01 -0.100417D+01 -0.673152D-01
      2   0.773793D+00 -0.316936D+00 -0.248044D+00 -0.673152D-01 -0.438660D+00
      3   0.653163D-01 -0.248044D+00 -0.999175D-02  0.122671D+01  0.400188D+00
                81            82            83            84            85 
      1   0.122671D+01 -0.562383D+01 -0.930181D+00 -0.466083D-01  0.866516D+01
      2   0.400188D+00 -0.930181D+00  0.382755D+01  0.752964D+00  0.342368D+00
      3  -0.758186D-01 -0.466083D-01  0.752964D+00  0.187880D+01 -0.684526D-01
                86            87            88            89            90 
      1   0.342368D+00 -0.684526D-01  0.167968D+01  0.955622D-01  0.173194D+01
      2   0.193219D+01 -0.592507D+00  0.955622D-01 -0.993316D+00  0.360954D+01
      3  -0.592507D+00  0.213195D+01  0.173194D+01  0.360954D+01  0.390082D+00
                91            92            93            94            95 
      1   0.431673D+01  0.878308D-01 -0.289519D+00  0.601238D+01 -0.192526D+00
      2   0.878308D-01 -0.306327D+01  0.283749D+00 -0.192526D+00  0.143900D+01
      3  -0.289519D+00  0.283749D+00 -0.108683D+01  0.120748D+00 -0.613274D+00
                96            97            98            99           100 
      1   0.120748D+00  0.420469D-01  0.622978D+00 -0.227950D+01 -0.654029D+01
      2  -0.613274D+00  0.622978D+00 -0.537044D+00  0.404057D+01  0.237519D-01
      3   0.259440D+01 -0.227950D+01  0.404057D+01  0.178227D+01 -0.486660D+00
               101           102           103           104           105 
      1   0.237519D-01 -0.486660D+00  0.480636D+00  0.854732D+00  0.615063D+00
      2  -0.353849D+01 -0.232705D-01  0.854732D+00 -0.473163D+00 -0.306446D+00
      3  -0.232705D-01 -0.319768D+01  0.615063D+00 -0.306446D+00 -0.701101D-01
               106           107           108           109           110 
      1  -0.432478D+00  0.730121D+00 -0.559880D+01  0.281335D+01 -0.427053D+00
      2   0.730121D+00  0.296739D+00  0.892714D-01 -0.427053D+00 -0.348574D+01
      3  -0.559880D+01  0.892714D-01  0.108966D+01 -0.536494D+00 -0.719412D+00
               111           112           113           114           115 
      1  -0.536494D+00 -0.622575D+01  0.331472D+00  0.611477D+00 -0.147498D+01
      2  -0.719412D+00  0.331472D+00 -0.601858D+00  0.714567D+00  0.214390D-01
      3  -0.173118D+01  0.611477D+00  0.714567D+00 -0.253235D+01 -0.295954D+01
               116           117           118           119           120 
      1   0.214390D-01 -0.295954D+01 -0.443205D+01  0.208471D+01  0.258016D+00
      2   0.107028D+01 -0.374621D+01  0.208471D+01  0.358185D+01 -0.128020D+00
      3  -0.374621D+01 -0.478072D+00  0.258016D+00 -0.128020D+00  0.147051D+01
               121           122           123           124           125 
      1  -0.722180D+01  0.800044D+00 -0.180999D+00 -0.123880D+00 -0.444837D+00
      2   0.800044D+00 -0.182865D+01  0.526663D+00 -0.444837D+00  0.677089D-01
      3  -0.180999D+00  0.526663D+00 -0.190642D+01  0.906670D+00 -0.372231D+01
               126           127           128           129           130 
      1   0.906670D+00  0.383883D+01  0.219114D+01 -0.939903D-02  0.208655D+01
      2  -0.372231D+01  0.219114D+01  0.234770D+01  0.151358D-01  0.274946D+01
      3  -0.169771D+01 -0.939903D-02  0.151358D-01  0.899859D-01  0.147492D+00
               131           132           133           134           135 
      1   0.274946D+01  0.147492D+00 -0.301999D+00  0.102941D+00 -0.932255D-01
      2   0.652630D+01  0.345771D+00  0.102941D+00  0.467482D+00  0.656840D-03
      3   0.345771D+00  0.583780D+00 -0.932255D-01  0.656840D-03  0.212029D-01
               136           137           138           139           140 
      1  -0.281833D+01  0.292845D+01  0.526340D+00  0.265490D+01 -0.402549D+01
      2   0.292845D+01 -0.314124D+01 -0.557859D+00 -0.402549D+01  0.857000D+01
      3   0.526340D+00 -0.557859D+00 -0.478516D+00 -0.593079D+00  0.120568D+01
               141           142           143           144           145 
      1  -0.593079D+00  0.598094D+00 -0.764431D+00 -0.126937D+00 -0.129737D+02
      2   0.120568D+01 -0.764431D+00  0.134505D+01  0.112212D+00  0.409672D+00
      3   0.918697D+00 -0.126937D+00  0.112212D+00  0.110015D+00  0.113600D+01
               146           147           148           149           150 
      1   0.409672D+00  0.113600D+01  0.455923D+00 -0.156376D+01 -0.232050D+00
      2  -0.733991D+00 -0.222922D-01 -0.156376D+01  0.131193D+00  0.137981D+00
      3  -0.222922D-01 -0.930961D+00 -0.232050D+00  0.137981D+00  0.778525D-01
               151           152           153           154           155 
      1   0.136999D+01 -0.226870D+00  0.456290D-01 -0.393054D+01 -0.352961D+01
      2  -0.226870D+00  0.782363D-01  0.268790D-01 -0.352961D+01 -0.360369D+01
      3   0.456290D-01  0.268790D-01  0.105479D+00 -0.107112D+00 -0.764242D-01
               156           157           158           159           160 
      1  -0.107112D+00 -0.335019D+01 -0.448942D+01 -0.330735D+00 -0.939899D-01
      2  -0.764242D-01 -0.448942D+01 -0.770384D+01 -0.453116D+00 -0.160370D+00
      3  -0.462841D+00 -0.330735D+00 -0.453116D+00 -0.736878D+00  0.402039D-01
               161           162           163           164           165 
      1  -0.160370D+00  0.402039D-01  0.194320D+01 -0.179625D+01 -0.296975D+00
      2  -0.541543D+00 -0.403307D-01 -0.179625D+01  0.234857D+01  0.502469D+00
      3  -0.403307D-01 -0.714560D-01 -0.296975D+00  0.502469D+00  0.375371D+00
               166           167           168           169           170 
      1  -0.171409D+01  0.234092D+01  0.389127D+00 -0.397344D+00  0.516931D+00
      2   0.234092D+01 -0.767826D+01 -0.114677D+01  0.516931D+00 -0.106979D+01
      3   0.389127D+00 -0.114677D+01 -0.949518D+00  0.510108D-01 -0.238117D+00
               171 
      1   0.510108D-01
      2  -0.238117D+00
      3  -0.210007D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.150075D+01  0.103416D+01  0.325222D+01 -0.246017D+01  0.649739D+00
      2   0.952615D+00 -0.295338D+01  0.100186D+02 -0.209470D-01  0.328225D+01
      3   0.189045D+01 -0.101684D+02  0.188967D+01 -0.124259D+01  0.100127D+02
                 6             7             8             9            10 
      1  -0.659167D+01 -0.174321D+00  0.125801D+01 -0.765354D+01 -0.360245D+00
      2  -0.199864D+01  0.362141D+01 -0.129903D+01 -0.113002D+02  0.195737D+01
      3  -0.247126D+01  0.174989D+01 -0.181001D+01  0.101541D+01 -0.200706D+01
                11            12            13            14            15 
      1   0.456513D+00 -0.951625D-01  0.315772D+01  0.186148D+01 -0.260791D+00
      2   0.362642D+00 -0.214473D+01 -0.729854D+00 -0.415202D+01  0.360476D+01
      3   0.286933D+01  0.101379D+00  0.152428D+02  0.866243D+00  0.232955D+01
                16            17            18            19            20 
      1   0.354036D+00  0.401709D+01 -0.170210D+01  0.410739D+00 -0.416495D+00
      2  -0.117275D+02  0.483540D+01  0.104037D+02  0.300559D+01  0.298783D+00
      3   0.533417D+00  0.390950D+01 -0.715752D+01  0.123259D+01  0.100787D+01
                21            22            23            24            25 
      1  -0.224497D+01 -0.208187D+00  0.135174D+01  0.224915D+00  0.522078D+00
      2  -0.364286D+01 -0.114392D+01  0.101496D+01  0.861108D+00 -0.259378D+01
      3  -0.103388D+01  0.985713D+00  0.585941D+00 -0.769856D+00 -0.372553D+00
                26            27            28            29            30 
      1   0.889028D+00  0.105574D+02 -0.174163D+00 -0.144380D+01  0.128961D+00
      2  -0.264456D+01  0.158941D+02 -0.212687D+01  0.568252D+00  0.312170D+01
      3  -0.276639D+01  0.337133D+01  0.540869D+00 -0.353896D+01 -0.342230D+00
                31            32            33            34            35 
      1  -0.174808D+01  0.100634D+01 -0.749722D+00  0.763969D-01  0.239359D+01
      2   0.211975D+00 -0.675221D+00 -0.325602D+01  0.917708D+00 -0.302065D+01
      3  -0.211445D+01  0.202011D+01  0.231484D+01 -0.293168D+00  0.280076D+01
                36            37            38            39            40 
      1  -0.327408D+00 -0.209010D+01 -0.460819D+00 -0.269749D+01 -0.971248D+00
      2  -0.127358D+02  0.318625D+01  0.231075D+00  0.648015D+01  0.767396D+00
      3   0.399745D+01 -0.181288D+02 -0.918871D+01  0.239864D+01 -0.195210D+01
                41            42            43            44            45 
      1  -0.423415D+01  0.331760D+01  0.863004D+00  0.726257D+01  0.416710D+01
      2   0.542802D+01 -0.106258D+02 -0.110750D+01 -0.109578D+02 -0.967031D+01
      3   0.617599D+01 -0.583757D+01  0.213923D+01 -0.524683D+01  0.140726D+02
                46            47            48            49            50 
      1   0.688440D+00  0.132727D+01  0.133763D+01  0.306912D+01 -0.184948D+01
      2  -0.186264D+01 -0.682471D+00 -0.403440D+00 -0.598287D+00 -0.493633D+00
      3   0.701024D+01  0.594872D+01  0.129527D+00  0.163038D+02  0.920450D+00
                51            52            53            54            55 
      1   0.200096D+01  0.589021D+00  0.110296D+02  0.132822D+01 -0.584116D+00
      2  -0.653627D+00 -0.138894D+02 -0.823405D+00  0.117452D+00  0.274169D+01
      3  -0.361188D+00 -0.198308D+01 -0.272505D+01  0.514231D+00 -0.902733D+00
                56            57            58            59            60 
      1  -0.191999D+00  0.870464D+00 -0.158296D+00 -0.122144D+01 -0.412872D+01
      2  -0.208887D+00 -0.125794D+01 -0.551009D+00  0.284556D+01  0.501118D+01
      3   0.157980D+01  0.148416D+01  0.224700D+01 -0.487239D+01 -0.313992D+01
                61            62            63            64            65 
      1  -0.660916D+00 -0.644877D+00 -0.876082D+01  0.270450D+00 -0.202189D-02
      2  -0.176107D+01  0.600983D+01  0.159652D+02 -0.230823D+01  0.656155D+00
      3   0.164718D+01 -0.563235D+01 -0.716413D+01 -0.434470D+01  0.254611D+01
                66            67            68            69            70 
      1   0.132841D+01  0.151501D+00  0.149151D+01 -0.498841D+01  0.408288D+00
      2  -0.130820D+01  0.899694D+00 -0.606510D+01  0.640201D+01 -0.205074D+01
      3  -0.201982D+01  0.457776D+01 -0.143884D+02  0.741353D+01 -0.196906D+01
                71            72            73            74            75 
      1  -0.121293D+01  0.378014D+01  0.278356D+00 -0.336918D+00 -0.130186D+01
      2   0.583990D+01 -0.667982D+01 -0.524958D+00  0.279672D+00  0.585730D+01
      3   0.861147D+01 -0.770090D+01  0.135030D+02 -0.605754D+01 -0.107413D+01
                76            77            78            79            80 
      1  -0.189225D+00  0.337937D+00 -0.505086D+00 -0.103811D+01  0.502952D+00
      2   0.207746D-01 -0.510843D+00 -0.277881D+00  0.215332D+01  0.107679D+01
      3  -0.273680D+01  0.210131D+01  0.926125D+00 -0.116576D+01  0.140517D+01
                81            82            83            84            85 
      1  -0.166635D+00 -0.155217D+01  0.374010D+00 -0.348324D+01  0.956364D+00
      2   0.108226D+00 -0.261321D+01 -0.552248D-01 -0.195784D+01  0.259930D+01
      3  -0.409634D+00 -0.677736D+01 -0.339952D-01  0.138412D+01  0.570866D+01
                86            87            88            89            90 
      1   0.371330D+00 -0.265781D+01 -0.594778D+01  0.228413D+01  0.683025D+00
      2  -0.410426D+00 -0.484911D+00 -0.134295D+02  0.983604D-01  0.661211D+00
      3   0.483776D+01 -0.663542D+00  0.181009D+01  0.273011D-01  0.484903D+01
                91            92            93            94            95 
      1   0.194058D+01 -0.817556D+00  0.223284D+01  0.428491D-01  0.223304D+00
      2   0.443500D+00  0.416546D+00  0.419849D+00  0.812728D+00  0.208998D+01
      3   0.349025D+01 -0.114069D+02 -0.128161D+01  0.576748D+01  0.213823D+01
                96            97            98            99           100 
      1  -0.355732D+01  0.567695D+01  0.153601D+01 -0.104443D+01 -0.681735D-01
      2  -0.694102D+01 -0.728331D+01 -0.104845D+02 -0.226985D+01  0.191655D-01
      3  -0.140175D+01 -0.185729D+00 -0.827353D+00  0.555217D+01 -0.666749D+00
               101           102           103           104           105 
      1   0.757881D+00  0.695648D+00  0.297626D+00 -0.203006D+01  0.322332D+01
      2  -0.200214D+00  0.906764D+01 -0.236057D+01  0.226738D+00  0.185429D+00
      3  -0.760312D+01  0.122613D+00  0.116499D+02 -0.340030D+01 -0.171978D+01
               106           107           108           109           110 
      1   0.109099D+01  0.116234D+02  0.152237D+01 -0.120352D+01 -0.280452D+00
      2   0.885506D+01 -0.453409D+00 -0.226645D+01  0.101879D+01  0.196340D+01
      3   0.209552D+01 -0.648477D+00 -0.847681D+00  0.105946D+01 -0.139167D+02
               111           112           113           114           115 
      1  -0.313517D+01  0.117755D+01  0.303277D+00 -0.271736D+01 -0.650048D+01
      2   0.194549D+01 -0.579737D+00 -0.195070D+01  0.668553D+01 -0.490895D+01
      3  -0.160019D+01  0.309312D+01  0.185294D+01  0.126391D+01  0.240350D+00
               116           117           118           119           120 
      1   0.285636D+01  0.104450D+01  0.453348D+00 -0.416590D+00  0.271204D+01
      2   0.104716D+02  0.230892D+01 -0.297108D+01  0.110291D+01 -0.177296D+01
      3   0.300715D+01 -0.436279D+01 -0.899851D+00 -0.110729D+01 -0.154958D+01
               121           122           123           124           125 
      1  -0.971727D+00 -0.369042D+00 -0.312685D+01  0.502504D+01  0.190630D+01
      2   0.244747D+00  0.630605D+00  0.161752D+01 -0.135455D+02  0.113075D+01
      3   0.177394D+01 -0.858905D+01 -0.203380D-01 -0.259351D+01  0.349127D+00
               126           127           128           129           130 
      1  -0.127294D+01  0.339907D+00  0.267998D+00 -0.128758D+01 -0.267699D+00
      2   0.180481D+01 -0.630184D+00 -0.196928D+00  0.316103D+00 -0.908857D-01
      3  -0.570864D+01  0.120402D+02  0.430685D+01 -0.101241D+00  0.740080D+01
               131           132           133           134           135 
      1  -0.305690D+00 -0.322989D+01  0.495955D+00  0.189666D+01 -0.726603D-01
      2  -0.418385D+00  0.936444D+00 -0.173956D+01 -0.413360D+00  0.705865D-02
      3   0.672917D+01  0.457357D+00 -0.667002D+00  0.178992D+00 -0.539084D-01
               136           137           138           139           140 
      1  -0.253893D+00  0.159408D+00  0.189971D+01  0.134053D+00  0.159502D+00
      2  -0.504801D+00  0.771036D+00  0.198434D+01  0.536251D+00 -0.199281D+01
      3   0.850135D+00 -0.330502D+01 -0.448593D+00 -0.177993D+01  0.130529D+02
               141           142           143           144           145 
      1  -0.410011D+01 -0.586741D+00  0.195779D+01 -0.364062D+00 -0.128846D+00
      2  -0.305802D+01 -0.625072D+00  0.530314D+00 -0.336938D+00 -0.174424D+01
      3   0.170651D+01 -0.393110D+00  0.165057D+01 -0.559840D-01 -0.424439D+00
               146           147           148           149           150 
      1  -0.346210D+00  0.261771D+00 -0.174243D+00 -0.741149D-02 -0.405432D+00
      2  -0.271002D-01  0.623258D+01  0.826753D+00 -0.279145D+00 -0.387792D+00
      3  -0.525606D+01  0.115429D+00 -0.384416D+01  0.350420D+00  0.337049D+00
               151           152           153           154           155 
      1  -0.555481D-01  0.535846D+00 -0.253496D-02  0.237668D+00  0.451336D+00
      2  -0.302803D+01 -0.357501D-01 -0.526872D+00 -0.433955D+00 -0.375412D+00
      3  -0.818099D+00  0.523884D+00  0.180350D+00 -0.115542D+01 -0.458514D+01
               156           157           158           159           160 
      1  -0.209095D+01 -0.115852D+00  0.165266D+00 -0.365524D+01  0.825358D+00
      2   0.234416D+01  0.188261D+00  0.369044D+00  0.301022D+01 -0.941272D+00
      3   0.288526D-02 -0.294235D+01 -0.122102D+02 -0.479317D+00 -0.386743D+00
               161           162           163           164           165 
      1   0.167074D+01 -0.158603D+00  0.294986D+00 -0.115721D+00  0.161672D+01
      2  -0.748600D+00  0.171853D+00  0.979971D+00 -0.582318D+00  0.276876D+00
      3  -0.126096D+01 -0.852278D-01 -0.698916D+01  0.395186D+01  0.457860D+00
               166           167           168           169           170 
      1  -0.306841D+00  0.727319D+00 -0.366921D+01 -0.284098D+00  0.219507D+01
      2  -0.103268D+01  0.106113D+01 -0.630451D+00 -0.176914D+01  0.206661D+00
      3   0.671420D+01 -0.750247D+01 -0.129967D+01  0.612138D+00 -0.154651D+01
               171 
      1  -0.192035D+00
      2  -0.240988D+00
      3  -0.611447D-02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.181311D+02 -0.250778D+01 -0.108064D+01 -0.572401D+01 -0.209703D+01
      2  -0.787788D+01 -0.308785D+01 -0.255535D+01 -0.107553D+01  0.146329D+02
      3  -0.102533D+02  0.559563D+01  0.363599D+01  0.679954D+01 -0.125359D+02
      4  -0.168248D+02  0.214799D+02 -0.360729D+01  0.274052D+02 -0.268342D+02
      5   0.695853D+01 -0.415911D+01  0.145096D+02 -0.571347D+01  0.721770D+01
      6  -0.304218D+01  0.315533D+01 -0.546770D+01  0.495607D+01 -0.719657D+01
                 6             7             8             9            10 
      1   0.286127D+01  0.546168D+00 -0.311105D+00  0.108584D+02  0.997841D+01
      2  -0.138487D+00  0.104953D+01 -0.262277D+01  0.242173D+01 -0.642313D+01
      3  -0.272278D+01 -0.159570D+01  0.293387D+01 -0.132801D+02 -0.355527D+01
      4   0.756381D+01 -0.585904D+01  0.486566D+01 -0.955651D+01  0.438224D+01
      5  -0.458849D+01  0.130325D+02 -0.697699D+01 -0.158667D+02  0.361631D+01
      6   0.942985D+01 -0.561701D+01  0.588235D+01  0.695695D+01 -0.191952D+01
                11            12            13            14            15 
      1  -0.222430D+01  0.930402D+00 -0.618317D+01 -0.850823D+01  0.803040D+00
      2  -0.104862D+01 -0.183771D+01 -0.769163D+00 -0.152036D+01  0.151543D+01
      3   0.327291D+01  0.907306D+00  0.695233D+01  0.100286D+02 -0.231847D+01
      4  -0.212635D+02  0.687693D+00 -0.322602D+02 -0.141033D+01 -0.526170D+01
      5   0.719090D+00 -0.110536D+02  0.352505D+01 -0.446867D+01  0.895817D+01
      6  -0.220264D+01  0.104682D+01 -0.255184D+01  0.200710D+01 -0.612531D+01
                16            17            18            19            20 
      1  -0.935199D+01  0.168143D+01 -0.660713D+00 -0.954157D+00 -0.198277D+01
      2  -0.646848D+01  0.603589D+01  0.106452D+02 -0.433815D+00  0.117262D+01
      3   0.158205D+02 -0.771732D+01 -0.998446D+01  0.138797D+01  0.810146D+00
      4   0.436073D+01 -0.901032D+01  0.158014D+02  0.128324D+00 -0.178085D+01
      5  -0.165434D+02  0.145587D+02  0.266069D+02  0.138005D+01  0.366971D+00
      6   0.828354D+01  0.128356D+00 -0.560037D+01 -0.303447D+00 -0.139819D+01
                21            22            23            24            25 
      1   0.588116D+01 -0.774033D-01 -0.262432D+01  0.782454D-01  0.583724D+01
      2  -0.278662D+00 -0.743152D+00  0.197008D+01 -0.263494D+01 -0.307913D+01
      3  -0.560250D+01  0.820555D+00  0.654249D+00  0.255669D+01 -0.275811D+01
      4  -0.779687D+00  0.107832D+01 -0.119682D+01  0.198198D+01 -0.488546D+01
      5  -0.385830D+01  0.183317D+00  0.160577D+01  0.150586D+01  0.549075D+01
      6   0.302958D+01  0.373007D+00 -0.147859D+01  0.279812D+01 -0.967641D+00
                26            27            28            29            30 
      1   0.236414D+01 -0.141668D+02  0.537347D+01 -0.813898D+00 -0.417769D+01
      2  -0.125236D+01 -0.875344D+01 -0.645356D+01  0.123211D+01  0.480810D+01
      3  -0.111178D+01  0.229202D+02  0.108009D+01 -0.418208D+00 -0.630407D+00
      4   0.622137D+01 -0.231623D+01 -0.293390D+01  0.707774D+01  0.252493D+01
      5  -0.415873D+01  0.247297D+02 -0.997355D+01  0.248107D+01  0.125107D+02
      6   0.464150D+01 -0.139407D+02  0.259379D+01 -0.361830D+00 -0.141836D+01
                31            32            33            34            35 
      1  -0.371565D+00 -0.232254D+01 -0.265670D+01 -0.336009D+01 -0.328170D+01
      2   0.172691D+01 -0.247847D+00 -0.738617D+00  0.969021D+01 -0.207527D+01
      3  -0.135535D+01  0.257039D+01  0.339531D+01 -0.633012D+01  0.535698D+01
      4   0.997227D+01 -0.545293D+01 -0.555121D+01  0.384007D+01 -0.697460D+01
      5   0.347261D+01 -0.500112D+01 -0.770365D+01  0.188696D+02 -0.825018D+01
      6  -0.195450D+01  0.403549D+01  0.871711D+01 -0.479166D+01  0.578357D+01
                36            37            38            39            40 
      1  -0.100595D+02 -0.530532D+02  0.151950D+01  0.680134D+01  0.157790D+02
      2  -0.157323D+02  0.335374D+02  0.515670D+01 -0.457629D+01 -0.315810D+01
      3   0.257918D+02  0.195158D+02 -0.667621D+01 -0.222504D+01 -0.126209D+02
      4  -0.946824D+01  0.432261D+01  0.194368D+02 -0.251895D-01  0.215469D+02
      5  -0.320658D+02  0.762008D+01 -0.125100D+01  0.924643D+01 -0.129903D+01
      6   0.991838D+01  0.311723D+01 -0.105360D+01  0.602777D+01 -0.315954D+00
                41            42            43            44            45 
      1   0.176029D+02 -0.508069D+01  0.751512D+01 -0.337205D+01  0.167165D+02
      2  -0.676423D+01  0.668599D+01 -0.210340D+01  0.629707D+01 -0.118358D+02
      3  -0.108386D+02 -0.160531D+01 -0.541172D+01 -0.292501D+01 -0.488071D+01
      4   0.483304D+01  0.791063D+01  0.247422D+01  0.897503D+01 -0.160837D+02
      5   0.807670D+01 -0.183472D+02  0.308024D+01 -0.184281D+02 -0.189903D+02
      6   0.835867D+01 -0.114281D+02  0.420830D+00 -0.134173D+02 -0.676418D+01
                46            47            48            49            50 
      1  -0.218650D+02 -0.461605D+00 -0.820693D+00  0.350006D+01 -0.515502D+01
      2   0.764586D+01  0.568004D+00 -0.607864D+00  0.510883D+00  0.125290D+02
      3   0.142191D+02 -0.106400D+00  0.142856D+01 -0.401094D+01 -0.737395D+01
      4  -0.930436D+01  0.593476D+01 -0.145505D+00 -0.106651D+02  0.254787D+01
      5  -0.243356D+01 -0.773296D-01  0.243587D+01 -0.195095D+01  0.711344D+00
      6  -0.597426D+00 -0.534602D+00 -0.141671D+01  0.146236D+01  0.199711D+01
                51            52            53            54            55 
      1  -0.817953D-02  0.485949D+01  0.186014D+00 -0.970869D+01  0.324969D+01
      2   0.245790D+01 -0.174001D+01  0.641520D+00 -0.374666D+01 -0.253275D+01
      3  -0.244972D+01 -0.311948D+01 -0.827534D+00  0.134553D+02 -0.716940D+00
      4   0.108873D+01 -0.109088D+01  0.245282D+01 -0.149048D+01  0.238765D+00
      5  -0.174300D+01  0.451554D+01 -0.162737D+01  0.243842D-01  0.201895D+01
      6  -0.439048D+01  0.253338D+00  0.467270D+01 -0.132537D+01  0.226968D+01
                56            57            58            59            60 
      1   0.203396D+01  0.402671D+01  0.166772D+01 -0.673501D+01 -0.422068D+01
      2  -0.199973D+01 -0.108502D+01 -0.259268D+00  0.702085D+01  0.415550D+01
      3  -0.342323D-01 -0.294169D+01 -0.140845D+01 -0.285840D+00  0.651817D-01
      4  -0.149372D+01  0.156189D+01  0.311605D+01  0.817229D+01  0.496616D+01
      5   0.390662D+00 -0.454579D+00  0.949453D+00  0.513213D+01  0.904762D+01
      6  -0.634344D+00 -0.171457D+01  0.633888D+00  0.547693D+01  0.105904D+02
                61            62            63            64            65 
      1   0.796558D+01 -0.407365D+01 -0.123637D+02 -0.368632D+00  0.479385D+01
      2  -0.426780D+01  0.433273D+01  0.214078D-01  0.914983D+00 -0.440158D+01
      3  -0.369778D+01 -0.259077D+00  0.123423D+02 -0.546351D+00 -0.392265D+00
      4   0.785003D+01  0.106114D+02  0.100547D+02 -0.917011D+00 -0.118482D+01
      5   0.678523D+01  0.115725D+02  0.291824D+02 -0.183347D+01  0.366213D+00
      6   0.181091D+01  0.110460D+02  0.185831D+02 -0.240254D+01  0.223489D+01
                66            67            68            69            70 
      1  -0.482210D+01  0.538560D+01 -0.155915D+02  0.868533D+01 -0.601946D+01
      2   0.251918D+01 -0.257613D+01  0.218650D+02 -0.962725D+01  0.257929D+01
      3   0.230293D+01 -0.280947D+01 -0.627351D+01  0.941920D+00  0.344016D+01
      4  -0.753106D+00  0.687040D+01  0.228179D+02 -0.110012D+02 -0.625105D+01
      5  -0.105436D+01 -0.157043D+01 -0.114716D+02  0.125222D+02  0.353781D+01
      6  -0.293820D+01 -0.871894D+00 -0.133248D+02  0.127808D+02  0.760539D+00
                71            72            73            74            75 
      1   0.865944D+01 -0.115345D+02  0.855646D+02  0.984684D+00 -0.520126D+01
      2  -0.937890D+01  0.538905D+01 -0.461327D+02  0.172507D+01  0.345801D+01
      3   0.719460D+00  0.614548D+01 -0.394320D+02 -0.270976D+01  0.174325D+01
      4  -0.144815D+02  0.108423D+02  0.177562D+02  0.110708D+02 -0.105822D+01
      5   0.121170D+02 -0.122569D+02 -0.771110D+01 -0.146077D+00  0.110545D+02
      6   0.130860D+02 -0.125984D+02 -0.188439D+01 -0.314699D+00  0.257546D+01
                76            77            78            79            80 
      1  -0.131001D+02  0.505940D+01  0.105842D+01 -0.621941D+01  0.418444D+00
      2   0.893894D+01 -0.218156D+01 -0.121000D+01  0.411757D+01 -0.101619D+01
      3   0.416114D+01 -0.287784D+01  0.151587D+00  0.210184D+01  0.597749D+00
      4   0.700460D+01 -0.160288D+01 -0.135588D+01 -0.156148D+01 -0.237521D+01
      5   0.782950D+00 -0.158005D+01 -0.938069D+00  0.116877D+02  0.183887D+01
      6  -0.179674D+00 -0.541333D+00  0.157272D+01  0.168804D+01  0.245801D+01
                81            82            83            84            85 
      1   0.563462D+01  0.549964D+01 -0.173981D+02 -0.309579D+01  0.412454D-01
      2  -0.414492D+01 -0.508225D+01  0.125459D+02  0.111117D+01 -0.108164D+02
      3  -0.148970D+01 -0.417394D+00  0.485222D+01  0.198462D+01  0.107752D+02
      4   0.271750D+01 -0.795513D+01 -0.141216D+02  0.658427D+00  0.608308D+01
      5  -0.153876D+01 -0.145829D+01  0.105791D+01 -0.341820D+01  0.592321D+00
      6   0.226076D+00  0.290098D+01  0.117530D+01  0.736444D+01 -0.427047D+01
                86            87            88            89            90 
      1   0.168032D+01  0.147587D+01 -0.873942D+00  0.423391D+01 -0.151727D+02
      2  -0.674385D+01 -0.157165D+01 -0.784418D+00 -0.510355D+01  0.260755D+01
      3   0.506353D+01  0.957790D-01  0.165836D+01  0.869636D+00  0.125652D+02
      4  -0.132353D+02 -0.130671D+01 -0.296558D+00  0.234399D+01 -0.313632D+01
      5  -0.129370D+01  0.729084D+00  0.283014D+01 -0.371676D+01  0.175153D+01
      6  -0.235723D+01  0.705779D+01  0.397338D+01  0.148584D+02 -0.119152D+01
                91            92            93            94            95 
      1   0.127804D+01  0.221969D+02  0.514446D+00 -0.262425D+02  0.950578D+01
      2  -0.201017D+01 -0.143274D+02 -0.342417D+00  0.253691D+02 -0.145312D+02
      3   0.732128D+00 -0.786947D+01 -0.172029D+00  0.873374D+00  0.502546D+01
      4   0.136500D+02 -0.383589D+01 -0.467485D+01  0.940728D+01  0.435684D+01
      5   0.296456D+01 -0.494181D+01 -0.280407D+00 -0.729821D+00  0.396596D+01
      6  -0.473326D+01  0.315543D+01 -0.553129D+01  0.311439D+01 -0.645729D+01
                96            97            98            99           100 
      1   0.110729D+01 -0.110547D+01 -0.325437D+01 -0.481116D+01 -0.704527D+01
      2  -0.470415D+01  0.410549D+01 -0.261755D+01 -0.447159D+01  0.305639D+01
      3   0.359686D+01 -0.300002D+01  0.587192D+01  0.928275D+01  0.398888D+01
      4   0.388315D+01 -0.490258D+01  0.705172D+01 -0.166032D+02  0.826086D+00
      5  -0.145799D+02  0.146769D+02 -0.163903D+02 -0.503285D+01  0.802148D+01
      6   0.776312D+01 -0.680600D+01  0.160609D+02  0.293624D+01  0.664601D-01
               101           102           103           104           105 
      1   0.169399D+01  0.608417D+01 -0.288647D+01 -0.210634D+02 -0.368572D+01
      2  -0.117657D+01 -0.322980D+01  0.227910D+01  0.192009D+02  0.602513D+01
      3  -0.517416D+00 -0.285437D+01  0.607368D+00  0.186254D+01 -0.233940D+01
      4   0.243954D+02  0.188792D+00 -0.235853D+02  0.576473D+01  0.328326D+01
      5   0.149993D+00  0.202736D+02 -0.709730D+01  0.260972D+01  0.193423D+00
      6  -0.549426D+00 -0.141385D+01  0.301118D+01  0.227719D+01 -0.710469D+01
               106           107           108           109           110 
      1   0.896053D+01 -0.431063D+01  0.150329D+02  0.151412D+01 -0.235753D+02
      2  -0.319961D+01  0.349984D+01 -0.194428D+02 -0.315796D+01  0.137273D+02
      3  -0.576092D+01  0.810791D+00  0.440993D+01  0.164385D+01  0.984802D+01
      4  -0.754320D+01 -0.111321D+01 -0.762536D+00 -0.176438D+02  0.316209D+01
      5   0.372151D+02 -0.171006D+00 -0.492832D+01  0.135805D-01  0.475127D+01
      6  -0.918825D+00  0.535634D+01 -0.263719D+01  0.323682D+01  0.255273D+01
               111           112           113           114           115 
      1  -0.335542D+01  0.269520D+02  0.712825D+01  0.906285D+00  0.576365D+01
      2  -0.238880D+00 -0.266610D+02 -0.122545D+02 -0.525395D+00 -0.592684D+01
      3   0.359430D+01 -0.290960D+00  0.512624D+01 -0.380890D+00  0.163188D+00
      4   0.452517D+01  0.645762D+01 -0.116206D+02 -0.551089D+01  0.243786D+01
      5   0.421240D+01 -0.159338D+01 -0.501859D+01  0.143231D+02  0.190251D+02
      6   0.700714D+01 -0.448293D+01 -0.327351D+01  0.701182D+01  0.800382D+01
               116           117           118           119           120 
      1   0.525388D+01 -0.771385D-01  0.812446D+01  0.141042D+02 -0.292941D+00
      2  -0.614856D+01 -0.701598D+01 -0.642410D+01 -0.976305D+01  0.152722D+01
      3   0.894680D+00  0.709312D+01 -0.170036D+01 -0.434111D+01 -0.123428D+01
      4  -0.390140D+01  0.158202D+02  0.109422D+02 -0.185564D+02 -0.296710D+01
      5   0.163826D+02  0.501343D+01 -0.235749D+00 -0.335202D+01 -0.478510D+01
      6   0.146801D+02 -0.104831D+01 -0.261333D+01  0.171802D+01 -0.567945D+01
               121           122           123           124           125 
      1  -0.120157D+01  0.557693D+01  0.351373D+01 -0.155025D+01 -0.189571D-01
      2   0.851241D+01 -0.107332D+02 -0.425810D+01  0.291486D+01 -0.407742D+01
      3  -0.731084D+01  0.515625D+01  0.744362D+00 -0.136461D+01  0.409638D+01
      4   0.104233D+02  0.133266D+02  0.138153D+01  0.164838D+01  0.323204D+01
      5   0.134741D+01  0.121832D+01  0.854599D+00 -0.272571D+00  0.540985D+01
      6   0.299383D+01 -0.611118D+01  0.599305D+01 -0.387480D+01  0.144642D+02
               126           127           128           129           130 
      1  -0.167052D+02 -0.150149D+00 -0.636245D+01  0.138709D-01 -0.821165D+01
      2   0.212051D+01  0.380836D+01  0.950741D+01  0.194424D+00  0.116702D+02
      3   0.145847D+02 -0.365821D+01 -0.314495D+01 -0.208295D+00 -0.345854D+01
      4   0.554459D+01  0.956531D+01  0.744613D+01  0.264016D+00  0.702232D+01
      5   0.430917D+01  0.193116D+00  0.473578D+00  0.833234D+00  0.589595D+00
      6   0.423392D+01 -0.418362D+00 -0.236041D+00  0.120420D+01  0.647816D+00
               131           132           133           134           135 
      1  -0.231854D+02 -0.123870D+01 -0.107196D+01 -0.170088D+01 -0.454011D+00
      2   0.323438D+02  0.117847D+01  0.104258D+01  0.215364D+01  0.100488D+01
      3  -0.915841D+01  0.602354D-01  0.293880D-01 -0.452759D+00 -0.550872D+00
      4   0.623427D+01  0.264533D+00  0.135436D+00 -0.313902D+00  0.117451D+01
      5   0.857974D+00  0.939849D+00  0.516036D+00  0.689965D+00  0.985795D-02
      6   0.143396D+01  0.488947D+01  0.375695D+00  0.906442D+00  0.524883D+00
               136           137           138           139           140 
      1   0.829004D+01 -0.626838D+01 -0.828328D+00 -0.130462D+01 -0.100521D+02
      2   0.244588D+01 -0.505193D+01 -0.202687D+00 -0.109678D+02  0.323447D+02
      3  -0.107359D+02  0.113203D+02  0.103102D+01  0.122724D+02 -0.222926D+02
      4  -0.223069D+02  0.258525D+02  0.406043D+01  0.278273D+02 -0.480560D+02
      5  -0.336078D+01  0.362276D+01  0.458404D+01  0.355022D+01 -0.559880D+01
      6   0.263611D+01 -0.314249D+01 -0.278515D+01 -0.364762D+01  0.771715D+01
               141           142           143           144           145 
      1  -0.153747D+01 -0.794870D+00 -0.566125D+00 -0.633076D+00  0.989428D+02
      2   0.304844D+01 -0.131279D+01  0.372866D+01  0.167953D+01 -0.568318D+02
      3  -0.151098D+01  0.210766D+01 -0.316254D+01 -0.104645D+01 -0.421110D+02
      4  -0.648646D+01  0.527321D+01 -0.787764D+01 -0.206239D+01 -0.587078D+01
      5  -0.492596D+01  0.151336D+01 -0.136435D+01 -0.122860D+01 -0.102015D+02
      6   0.723735D+01 -0.137278D+01  0.249502D+01  0.167966D+01 -0.107914D+01
               146           147           148           149           150 
      1  -0.276521D+01 -0.720628D+01 -0.273979D+01  0.904937D+01  0.988311D+00
      2   0.130313D+01  0.496728D+01  0.123130D+01 -0.446257D+01 -0.892734D+00
      3   0.146208D+01  0.223900D+01  0.150849D+01 -0.458680D+01 -0.955773D-01
      4   0.854797D+01  0.352342D+00  0.146169D+02 -0.147132D+01 -0.117371D+01
      5   0.181090D+00  0.103873D+02  0.185451D+01 -0.107478D+01 -0.618479D+00
      6  -0.542918D+00 -0.160051D+00 -0.841466D+00 -0.947688D-01  0.172422D+01
               151           152           153           154           155 
      1  -0.993970D+01  0.111739D+01  0.257014D+01  0.153522D+02  0.104979D+02
      2   0.585566D+01 -0.767735D+00 -0.141324D+01 -0.572790D+00  0.339116D+01
      3   0.408404D+01 -0.349651D+00 -0.115690D+01 -0.147794D+02 -0.138891D+02
      4   0.224971D+01 -0.975102D+00 -0.402722D+00  0.282239D+02  0.293360D+02
      5   0.176107D+01 -0.287541D+00 -0.176072D+01  0.182317D+01  0.136917D+01
      6  -0.144829D-01  0.627146D+00  0.332758D+00  0.346330D+00  0.181869D+00
               156           157           158           159           160 
      1   0.627618D+00  0.579924D+01 -0.143323D+01  0.191087D-01 -0.739308D+00
      2  -0.153758D+00  0.880856D+01  0.234265D+02  0.468196D+00  0.102718D+01
      3  -0.473860D+00 -0.146078D+02 -0.219933D+02 -0.487304D+00 -0.287873D+00
      4   0.923317D+00  0.319503D+02  0.469354D+02  0.274223D+01  0.106563D+01
      5   0.473893D+01  0.272019D+01  0.363568D+01  0.471620D+01  0.107364D+01
      6   0.269006D+01  0.152472D+01  0.227445D+01  0.588036D+01  0.907743D+00
               161           162           163           164           165 
      1  -0.103890D+01 -0.397161D+00 -0.493598D+01  0.834894D+01  0.222812D+01
      2   0.194810D+01  0.123318D+01  0.606093D+01 -0.103797D+02 -0.159029D+01
      3  -0.909200D+00 -0.836015D+00 -0.112495D+01  0.203071D+01 -0.637833D+00
      4   0.245991D+01  0.165452D+01 -0.491839D+01  0.640421D+01  0.100107D+01
      5   0.770831D+00  0.235377D+00 -0.231798D+00  0.734699D+00  0.126936D+01
      6   0.151927D+01  0.705156D+00  0.182618D+01 -0.320280D+01 -0.242013D+01
               166           167           168           169           170 
      1   0.801088D+01 -0.287734D+02 -0.489350D+01  0.146534D+01 -0.381102D+01
      2  -0.102067D+02  0.379822D+02  0.441575D+01 -0.161325D+01  0.459812D+01
      3   0.219586D+01 -0.920879D+01  0.477746D+00  0.147913D+00 -0.787094D+00
      4   0.542347D+01 -0.274786D+01 -0.248205D+00  0.105496D+01 -0.119108D+01
      5   0.386766D+00  0.476020D+00 -0.345361D+00  0.900065D+00 -0.608361D+00
      6  -0.243089D+01  0.799436D+01  0.675401D+01 -0.754051D+00  0.265853D+01
               171 
      1  -0.150254D+01
      2   0.199931D+01
      3  -0.496775D+00
      4  -0.172747D+01
      5  -0.102372D+01
      6   0.174605D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:55:45 2021, MaxMem=  5368709120 cpu:           19802.2 elap:            2479.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.27258 -10.35406 -10.30883 -10.30380 -10.30313
 Alpha  occ. eigenvalues --  -10.30295 -10.30250 -10.29966 -10.28998  -1.12917
 Alpha  occ. eigenvalues --   -0.96678  -0.88305  -0.85237  -0.82960  -0.74024
 Alpha  occ. eigenvalues --   -0.70288  -0.68176  -0.62307  -0.57778  -0.55639
 Alpha  occ. eigenvalues --   -0.54764  -0.53262  -0.51794  -0.50898  -0.47017
 Alpha  occ. eigenvalues --   -0.46732  -0.45455  -0.44829  -0.42704  -0.40493
 Alpha  occ. eigenvalues --   -0.37076  -0.33528  -0.32610
 Alpha virt. eigenvalues --    0.03422   0.04046   0.04393   0.04852   0.05171
 Alpha virt. eigenvalues --    0.05392   0.05803   0.06264   0.07297   0.07786
 Alpha virt. eigenvalues --    0.08176   0.09492   0.11060   0.11864   0.13206
 Alpha virt. eigenvalues --    0.13419   0.13840   0.14030   0.14401   0.14663
 Alpha virt. eigenvalues --    0.15091   0.15289   0.15537   0.15966   0.16567
 Alpha virt. eigenvalues --    0.17263   0.17629   0.18142   0.18345   0.18799
 Alpha virt. eigenvalues --    0.19111   0.19996   0.20476   0.20736   0.21439
 Alpha virt. eigenvalues --    0.23089   0.23917   0.24535   0.25264   0.26244
 Alpha virt. eigenvalues --    0.26937   0.26988   0.27579   0.28210   0.28908
 Alpha virt. eigenvalues --    0.29142   0.30014   0.30565   0.30623   0.31326
 Alpha virt. eigenvalues --    0.31611   0.32072   0.32863   0.33392   0.34104
 Alpha virt. eigenvalues --    0.34384   0.34920   0.35935   0.36449   0.37221
 Alpha virt. eigenvalues --    0.37901   0.38604   0.39836   0.40057   0.40692
 Alpha virt. eigenvalues --    0.41645   0.42103   0.42786   0.43316   0.44362
 Alpha virt. eigenvalues --    0.45122   0.46345   0.47779   0.48401   0.48509
 Alpha virt. eigenvalues --    0.49486   0.50505   0.51329   0.51490   0.52456
 Alpha virt. eigenvalues --    0.52939   0.53756   0.54449   0.55749   0.56133
 Alpha virt. eigenvalues --    0.57001   0.58073   0.58615   0.58863   0.59927
 Alpha virt. eigenvalues --    0.60216   0.61548   0.62311   0.62730   0.62984
 Alpha virt. eigenvalues --    0.63877   0.64130   0.65243   0.65502   0.65784
 Alpha virt. eigenvalues --    0.66866   0.67908   0.68573   0.69416   0.70264
 Alpha virt. eigenvalues --    0.70725   0.72145   0.72503   0.73136   0.73644
 Alpha virt. eigenvalues --    0.74075   0.74201   0.74365   0.75508   0.76126
 Alpha virt. eigenvalues --    0.77883   0.78615   0.79552   0.80662   0.81415
 Alpha virt. eigenvalues --    0.82673   0.83376   0.84178   0.85034   0.85863
 Alpha virt. eigenvalues --    0.86149   0.86691   0.87313   0.89300   0.89527
 Alpha virt. eigenvalues --    0.90947   0.91713   0.93078   0.93966   0.94515
 Alpha virt. eigenvalues --    0.95404   0.98752   1.00443   1.01212   1.02207
 Alpha virt. eigenvalues --    1.04025   1.06218   1.06865   1.08364   1.10475
 Alpha virt. eigenvalues --    1.11075   1.12381   1.15163   1.16289   1.19912
 Alpha virt. eigenvalues --    1.20880   1.22367   1.25891   1.29553   1.31210
 Alpha virt. eigenvalues --    1.32603   1.35845   1.37216   1.39468   1.40311
 Alpha virt. eigenvalues --    1.41022   1.42338   1.42915   1.43588   1.46749
 Alpha virt. eigenvalues --    1.47720   1.48473   1.48952   1.49937   1.51136
 Alpha virt. eigenvalues --    1.53186   1.54413   1.56916   1.57758   1.58485
 Alpha virt. eigenvalues --    1.59580   1.60382   1.61793   1.65390   1.65673
 Alpha virt. eigenvalues --    1.67535   1.68267   1.68856   1.69971   1.71618
 Alpha virt. eigenvalues --    1.73580   1.75388   1.76061   1.77040   1.78654
 Alpha virt. eigenvalues --    1.80317   1.80811   1.81424   1.82354   1.84200
 Alpha virt. eigenvalues --    1.84928   1.85819   1.87830   1.89779   1.91642
 Alpha virt. eigenvalues --    1.92989   1.94379   1.96009   1.97844   1.99195
 Alpha virt. eigenvalues --    2.00861   2.03003   2.03544   2.04229   2.04748
 Alpha virt. eigenvalues --    2.07358   2.09860   2.11628   2.11961   2.12720
 Alpha virt. eigenvalues --    2.15610   2.17117   2.17869   2.18870   2.19650
 Alpha virt. eigenvalues --    2.21641   2.21902   2.23882   2.25011   2.29661
 Alpha virt. eigenvalues --    2.30777   2.32927   2.35521   2.39411   2.42625
 Alpha virt. eigenvalues --    2.43617   2.49935   2.50993   2.53352   2.58277
 Alpha virt. eigenvalues --    2.59692   2.60417   2.61637   2.63376   2.66329
 Alpha virt. eigenvalues --    2.69701   2.73197   2.77875   2.79825   2.83679
 Alpha virt. eigenvalues --    2.85406   2.86653   2.92104   2.93224   2.96545
 Alpha virt. eigenvalues --    3.07207   3.12262   3.16092   3.18528   3.42158
 Alpha virt. eigenvalues --    3.47260   3.53139   3.56523   3.57948   3.64683
 Alpha virt. eigenvalues --    3.70041   3.76095   4.08508   4.59359
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.495458   0.009196   0.309133  -0.141936  -0.051637   0.115447
     2  C    0.009196  10.638364  -0.232358  -0.747555   0.801243   0.207157
     3  H    0.309133  -0.232358   0.680750   0.028344  -0.047499   0.052356
     4  H   -0.141936  -0.747555   0.028344   1.808026  -0.166183   0.314688
     5  C   -0.051637   0.801243  -0.047499  -0.166183   4.983869  -0.550231
     6  C    0.115447   0.207157   0.052356   0.314688  -0.550231  18.916070
     7  H    0.018233  -0.050626   0.008598   0.093395   0.281702  -0.149881
     8  H    0.030758   0.341031   0.003987  -0.093057   0.071392  -0.247752
     9  H   -0.028917   0.047438  -0.011820  -0.106870   0.269170   0.255163
    10  C   -0.045382  -2.609671   0.040996   0.128553  -0.169729  -8.994575
    11  C   -0.002049   0.363980   0.011399  -0.009168  -0.093717   3.709398
    12  C    0.001338  -0.245601  -0.004636   0.006303   0.014638  -4.656541
    13  C   -0.054703   0.043682   0.007205   0.051965  -0.011987   2.936124
    14  C   -0.040827  -3.394914   0.041846   0.169173  -0.156816  -7.980993
    15  H   -0.005028   0.197363   0.005949   0.029655   0.053777   0.724681
    16  H    0.000265   0.003374   0.000181  -0.002222   0.016163  -0.331826
    17  H    0.000128  -0.015054   0.000084   0.000955   0.001451   0.080348
    18  H   -0.000738   0.003962  -0.000818   0.000701   0.002549  -0.364907
    19  H   -0.072176   0.118488   0.007015  -0.003995   0.025166   0.731114
               7          8          9         10         11         12
     1  O    0.018233   0.030758  -0.028917  -0.045382  -0.002049   0.001338
     2  C   -0.050626   0.341031   0.047438  -2.609671   0.363980  -0.245601
     3  H    0.008598   0.003987  -0.011820   0.040996   0.011399  -0.004636
     4  H    0.093395  -0.093057  -0.106870   0.128553  -0.009168   0.006303
     5  C    0.281702   0.071392   0.269170  -0.169729  -0.093717   0.014638
     6  C   -0.149881  -0.247752   0.255163  -8.994575   3.709398  -4.656541
     7  H    1.509921  -0.201599  -0.422950   0.074890   0.070657  -0.004743
     8  H   -0.201599   1.528775  -0.287726  -0.038890   0.042695  -0.012542
     9  H   -0.422950  -0.287726   1.632263  -0.081473  -0.034686   0.004956
    10  C    0.074890  -0.038890  -0.081473  23.581475  -7.972906   4.902823
    11  C    0.070657   0.042695  -0.034686  -7.972906  15.363152  -5.035530
    12  C   -0.004743  -0.012542   0.004956   4.902823  -5.035530  11.733705
    13  C    0.004737  -0.002473  -0.000623  -5.421884   4.957588  -4.902210
    14  C   -0.070616  -0.021315   0.013931   3.032943  -4.890420   4.138128
    15  H   -0.068308  -0.067559   0.018148  -2.626147   0.750381  -0.187896
    16  H   -0.001235  -0.002196   0.001250   1.245513  -1.714221   0.579376
    17  H    0.000204  -0.000144   0.000067  -0.178896   0.602753  -1.283128
    18  H    0.000947  -0.000096   0.000019   0.198306  -0.339132   0.591417
    19  H    0.004362   0.002326   0.000980  -0.212338   0.127679  -0.231042
              13         14         15         16         17         18
     1  O   -0.054703  -0.040827  -0.005028   0.000265   0.000128  -0.000738
     2  C    0.043682  -3.394914   0.197363   0.003374  -0.015054   0.003962
     3  H    0.007205   0.041846   0.005949   0.000181   0.000084  -0.000818
     4  H    0.051965   0.169173   0.029655  -0.002222   0.000955   0.000701
     5  C   -0.011987  -0.156816   0.053777   0.016163   0.001451   0.002549
     6  C    2.936124  -7.980993   0.724681  -0.331826   0.080348  -0.364907
     7  H    0.004737  -0.070616  -0.068308  -0.001235   0.000204   0.000947
     8  H   -0.002473  -0.021315  -0.067559  -0.002196  -0.000144  -0.000096
     9  H   -0.000623   0.013931   0.018148   0.001250   0.000067   0.000019
    10  C   -5.421884   3.032943  -2.626147   1.245513  -0.178896   0.198306
    11  C    4.957588  -4.890420   0.750381  -1.714221   0.602753  -0.339132
    12  C   -4.902210   4.138128  -0.187896   0.579376  -1.283128   0.591417
    13  C   13.436976  -4.959613   0.159026  -0.366494   0.616121  -1.487562
    14  C   -4.959613  20.799603  -0.223274   0.181697  -0.156208   1.039093
    15  H    0.159026  -0.223274   3.506364  -0.159938  -0.023923   0.017323
    16  H   -0.366494   0.181697  -0.159938   2.309920  -0.103389  -0.028592
    17  H    0.616121  -0.156208  -0.023923  -0.103389   2.203162  -0.112222
    18  H   -1.487562   1.039093   0.017323  -0.028592  -0.112222   2.272814
    19  H    0.607185  -1.867411  -0.046572   0.014363  -0.020906  -0.164685
              19
     1  O   -0.072176
     2  C    0.118488
     3  H    0.007015
     4  H   -0.003995
     5  C    0.025166
     6  C    0.731114
     7  H    0.004362
     8  H    0.002326
     9  H    0.000980
    10  C   -0.212338
    11  C    0.127679
    12  C   -0.231042
    13  C    0.607185
    14  C   -1.867411
    15  H   -0.046572
    16  H    0.014363
    17  H   -0.020906
    18  H   -0.164685
    19  H    2.878977
 Mulliken charges:
               1
     1  O   -0.536563
     2  C    0.520500
     3  H    0.099290
     4  H   -0.360772
     5  C    0.726677
     6  C    1.234162
     7  H   -0.097688
     8  H   -0.045618
     9  H   -0.268321
    10  C    1.146394
    11  C    0.092149
    12  C    0.591185
    13  C    0.386940
    14  C    0.345991
    15  H   -1.054023
    16  H   -0.641990
    17  H   -0.611403
    18  H   -0.628381
    19  H   -0.898531
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.437273
     2  C    0.159728
     5  C    0.315051
     6  C    1.234162
    10  C    0.092371
    11  C   -0.549841
    12  C   -0.020218
    13  C   -0.241441
    14  C   -0.552539
 Electronic spatial extent (au):  <R**2>=           1279.8965
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.7418    Y=              1.2026    Z=              0.3650  Tot=              1.4594
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -53.8617   YY=            -52.8194   ZZ=            -54.5166
   XY=              3.8173   XZ=             -0.4628   YZ=              0.2334
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.1291   YY=              0.9131   ZZ=             -0.7840
   XY=              3.8173   XZ=             -0.4628   YZ=              0.2334
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -13.3241  YYY=             -0.2821  ZZZ=              5.9503  XYY=             -7.4061
  XXY=              7.8390  XXZ=              1.2506  XZZ=             15.3642  YZZ=             -4.9028
  YYZ=              0.6204  XYZ=             -1.8628
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1161.7592 YYYY=           -422.1967 ZZZZ=            -94.3893 XXXY=             17.1351
 XXXZ=            -11.4377 YYYX=             -0.0117 YYYZ=              1.3531 ZZZX=             11.5440
 ZZZY=             -8.1491 XXYY=           -276.2850 XXZZ=           -218.8755 YYZZ=            -90.6615
 XXYZ=              2.7029 YYXZ=             -0.3449 ZZXY=             -9.0080
 N-N= 4.252198865392D+02 E-N=-1.748037536672D+03  KE= 3.836916440794D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:55:46 2021, MaxMem=  5368709120 cpu:               2.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.94882136D-01 4.52113215D-01 1.66017669D-01
 Polarizability= 1.20304629D+02 1.44257949D+00 1.00119864D+02
                -3.12062470D+00 2.77414581D+00 6.39036978D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.4152    1.4150        0.6791    0.6803
 2     -1.4152   -1.4150       -1.3685   -1.3686      -10.8955  -10.8936
 3     -0.6791   -0.6803       29.2760   29.2716        1.3650    1.3686
 4      1.3685    1.3686        0.0000    0.0000       -0.6814   -0.6803
 5    -18.3805  -18.3779        0.6814    0.6803        1.4153    1.4150
 6     -1.3650   -1.3686       -1.4153   -1.4150       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -4.2450   -4.2450        2.0409    2.0409
 2      4.1057    4.1057       -0.0000    0.0000        2.0409    2.0409
 3      4.1057    4.1057       -4.2450   -4.2450        0.0000    0.0000
 4     -4.2450   -4.2450       -4.1057   -4.1057      -32.6808  -32.6808
 5     -2.0409   -2.0409       87.8147   87.8147        4.1057    4.1057
 6    -55.1338  -55.1338        2.0409    2.0409        4.2450    4.2450
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2262    0.0000       -5.1973   -5.6599       -2.4917   -2.7212
 2      5.6170    5.6599        5.4406    5.4742       43.6077   43.5744
 3      2.7017    2.7212     -117.2236 -117.0862       -5.5820   -5.4742
 4     -5.3439   -5.4742        0.0298    0.0000        2.7919    2.7212
 5     73.5291   73.5118       -2.7665   -2.7212       -5.7386   -5.6599
 6      5.5369    5.4742        5.7166    5.6599        0.0739    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0011    0.0000        5.2828    5.2403       -8.6201   -8.7817
 2     -5.1388   -5.2403       42.5856   42.4234       16.2165   16.1683
 3      9.0323    8.7817       11.9932   11.0463      -41.8809  -42.4234
 4    -42.3482  -42.4234       -0.1232    0.0000        8.7577    8.7817
 5    -27.2606  -27.2146       -8.9463   -8.7817        4.6711    5.2403
 6     42.4146   42.4234       -5.0984   -5.2403       -0.1050    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -5.4576   -5.4924      -10.0377  -10.2179        8.6728    8.8597
 2    -77.5752  -77.7589       -6.2714   -6.0383        8.8815    8.8597
 3    -77.5791  -77.7589      -10.4247  -10.2179       14.6268   14.6604
 4     -4.1175   -4.1796       72.5816   72.2665       21.9755   22.1420
 5      5.7913    5.8007       23.7689   23.1120      -72.4164  -72.2665
 6    -45.5027  -45.2540       -6.3031   -5.8007        3.0442    4.1796
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.0020   -0.0006   -0.0002    0.0003    1.9050    4.5380
 Low frequencies ---   26.6731  145.4104  220.0769
 Diagonal vibrational polarizability:
       51.5011210       9.0039718      35.2628008
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     26.6539               145.4100               220.0768
 Red. masses --      3.6345                 3.5574                 3.4762
 Frc consts  --      0.0015                 0.0443                 0.0992
 IR Inten    --      1.0683                 0.5434                 1.1219
 RamAct Fr= 1--      2.2924                 4.2829                 0.0639
  Dep-P Fr= 1--      0.7500                 0.7314                 0.6631
  Dep-U Fr= 1--      0.8571                 0.8449                 0.7975
 Alpha2 Fr= 1--      0.0000                 0.0014                 0.0001
 Beta2  Fr= 1--      0.3275                 0.6031                 0.0085
 AlphaG Fr= 1--     -0.0000                -0.0001                 0.0007
 Gamma2 Fr= 1--      0.7694                 0.5349                -0.1438
 Delta2 Fr= 1--      0.6015                 0.3440                -0.0464
 Raman1 Fr= 1--       9.170                 17.132                  0.256
 ROA1   Fr= 1--      93.112                 62.353                -15.292
 CID1   Fr= 1--      10.155                  3.640                -59.834
 Raman2 Fr= 1--       3.930                  7.237                  0.102
 ROA2   Fr= 1--      13.653                 10.085                 -3.081
 CID2   Fr= 1--       3.474                  1.394                -30.232
 Raman3 Fr= 1--       7.859                 14.474                  0.204
 ROA3   Fr= 1--      93.112                 62.353                -15.292
 CID3   Fr= 1--      11.847                  4.308                -75.031
 RC180  Fr= 1--       0.714                  0.690                  0.595
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.10   0.23     0.16  -0.02  -0.10    -0.17  -0.04  -0.01
     2   6    -0.00  -0.05   0.01    -0.02  -0.01   0.04    -0.02   0.04   0.00
     3   1    -0.08   0.24   0.18     0.43   0.00  -0.02    -0.14   0.00  -0.00
     4   1    -0.00  -0.25   0.08    -0.20   0.02  -0.01    -0.12  -0.00  -0.00
     5   6     0.01  -0.01  -0.24    -0.01   0.01  -0.10     0.23  -0.10  -0.07
     6   6     0.00  -0.02  -0.01    -0.01  -0.03   0.22    -0.00   0.15   0.05
     7   1     0.06   0.16  -0.29     0.19  -0.00  -0.06     0.48  -0.12  -0.02
     8   1    -0.03  -0.13  -0.35    -0.18   0.01  -0.04     0.23  -0.03   0.01
     9   1     0.00  -0.02  -0.25    -0.02   0.04  -0.33     0.18  -0.27  -0.28
    10   6     0.03  -0.03   0.14    -0.01  -0.02   0.18    -0.09   0.11   0.05
    11   6     0.03  -0.02   0.15    -0.03   0.02  -0.04    -0.12  -0.04  -0.00
    12   6     0.01   0.00   0.00    -0.06   0.05  -0.21    -0.02  -0.10  -0.04
    13   6    -0.02   0.01  -0.15    -0.05   0.02  -0.06     0.10  -0.05  -0.00
    14   6    -0.02   0.00  -0.16    -0.03  -0.02   0.17     0.10   0.09   0.05
    15   1     0.05  -0.05   0.25     0.01  -0.04   0.26    -0.16   0.16   0.07
    16   1     0.05  -0.03   0.27    -0.02   0.03  -0.12    -0.22  -0.09  -0.02
    17   1     0.01   0.01   0.00    -0.08   0.08  -0.45    -0.02  -0.19  -0.09
    18   1    -0.04   0.03  -0.27    -0.07   0.04  -0.15     0.19  -0.11  -0.02
    19   1    -0.04   0.01  -0.27    -0.03  -0.03   0.23     0.20   0.14   0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --    277.2021               290.0679               343.3586
 Red. masses --      1.1310                 1.0536                 3.7616
 Frc consts  --      0.0512                 0.0522                 0.2613
 IR Inten    --     61.2226                45.2618                19.5794
 RamAct Fr= 1--      0.4323                 0.2222                 2.5587
  Dep-P Fr= 1--      0.6052                 0.7493                 0.1148
  Dep-U Fr= 1--      0.7540                 0.8567                 0.2059
 Alpha2 Fr= 1--      0.0012                 0.0000                 0.0432
 Beta2  Fr= 1--      0.0543                 0.0317                 0.0878
 AlphaG Fr= 1--      0.0051                 0.0004                -0.0211
 Gamma2 Fr= 1--      0.3175                 0.0012                -0.0396
 Delta2 Fr= 1--      0.0813                 0.0798                -0.0221
 Raman1 Fr= 1--       1.729                  0.889                 10.235
 ROA1   Fr= 1--      33.079                  2.665                 -4.504
 CID1   Fr= 1--      19.129                  2.999                 -0.440
 Raman2 Fr= 1--       0.652                  0.381                  1.054
 ROA2   Fr= 1--       6.970                 -0.611                 -0.773
 CID2   Fr= 1--      10.691                 -1.605                 -0.733
 Raman3 Fr= 1--       1.304                  0.761                  2.108
 ROA3   Fr= 1--      33.079                  2.665                 -4.504
 CID3   Fr= 1--      25.370                  3.500                 -2.137
 RC180  Fr= 1--       0.508                  0.713                 -0.588
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01   0.00   0.02    -0.01  -0.03  -0.03     0.26   0.08   0.01
     2   6     0.00  -0.01   0.01    -0.00  -0.00   0.00     0.05   0.02   0.04
     3   1     0.65   0.42   0.15     0.51   0.27   0.09    -0.25  -0.32  -0.08
     4   1     0.02  -0.03   0.02    -0.01  -0.00   0.01     0.01   0.04   0.03
     5   6     0.02  -0.03   0.03     0.01  -0.01   0.00     0.22  -0.06   0.03
     6   6    -0.01   0.00  -0.03    -0.01   0.02   0.01    -0.03  -0.02   0.02
     7   1     0.25  -0.25   0.15    -0.33   0.26  -0.16     0.24   0.03  -0.00
     8   1    -0.19   0.11   0.27     0.34  -0.16  -0.29     0.47  -0.03  -0.04
     9   1     0.00   0.04  -0.28     0.03  -0.14   0.45     0.18  -0.33   0.13
    10   6    -0.02   0.00  -0.05    -0.02   0.01   0.01    -0.10  -0.03  -0.07
    11   6    -0.01   0.00  -0.00    -0.02  -0.00   0.01    -0.11  -0.01  -0.03
    12   6    -0.01  -0.00   0.04    -0.01  -0.01   0.00    -0.14  -0.00   0.09
    13   6    -0.02   0.01  -0.01     0.00  -0.00  -0.01    -0.13   0.02  -0.01
    14   6    -0.02   0.01  -0.04     0.00   0.01   0.00    -0.11   0.02  -0.08
    15   1    -0.02   0.01  -0.06    -0.02   0.02  -0.00    -0.11  -0.01  -0.12
    16   1    -0.01   0.00   0.01    -0.03  -0.01   0.02    -0.08   0.01  -0.06
    17   1    -0.01  -0.01   0.09    -0.01  -0.02   0.00    -0.13  -0.00   0.20
    18   1    -0.02   0.00   0.00     0.01  -0.01  -0.02    -0.11   0.01  -0.04
    19   1    -0.02   0.00  -0.04     0.02   0.02   0.01    -0.18  -0.00  -0.16
                      7                      8                      9
                      A                      A                      A
 Frequencies --    396.8326               413.9251               473.9878
 Red. masses --      3.0517                 2.9294                 3.6112
 Frc consts  --      0.2831                 0.2957                 0.4780
 IR Inten    --      1.1056                 0.0975                10.5469
 RamAct Fr= 1--      0.5784                 0.0447                 1.2289
  Dep-P Fr= 1--      0.6704                 0.2811                 0.6039
  Dep-U Fr= 1--      0.8027                 0.4389                 0.7531
 Alpha2 Fr= 1--      0.0008                 0.0005                 0.0033
 Beta2  Fr= 1--      0.0774                 0.0033                 0.1542
 AlphaG Fr= 1--      0.0040                 0.0043                 0.0024
 Gamma2 Fr= 1--     -0.5822                 0.2779                 0.3437
 Delta2 Fr= 1--     -0.0703                 0.0428                 0.1738
 Raman1 Fr= 1--       2.314                  0.179                  4.915
 ROA1   Fr= 1--     -58.139                 28.049                 38.562
 CID1   Fr= 1--     -25.128                156.778                  7.845
 Raman2 Fr= 1--       0.929                  0.039                  1.851
 ROA2   Fr= 1--     -13.410                  6.328                  6.859
 CID2   Fr= 1--     -14.441                161.187                  3.706
 Raman3 Fr= 1--       1.857                  0.079                  3.702
 ROA3   Fr= 1--     -58.139                 28.049                 38.562
 CID3   Fr= 1--     -31.304                357.218                 10.417
 RC180  Fr= 1--       0.605                 -0.122                  0.506
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.08   0.18  -0.01    -0.01   0.02  -0.00     0.17   0.03   0.06
     2   6    -0.02   0.08  -0.15    -0.01   0.01  -0.01     0.03  -0.15  -0.14
     3   1    -0.07   0.38  -0.04     0.06   0.08   0.01    -0.12   0.01  -0.02
     4   1     0.07   0.07  -0.13    -0.01   0.00  -0.01     0.05  -0.27  -0.09
     5   6     0.12  -0.03   0.06     0.00  -0.01   0.01    -0.13  -0.18   0.02
     6   6    -0.02  -0.08  -0.12    -0.00  -0.00  -0.02     0.01   0.11  -0.14
     7   1     0.08  -0.20   0.12    -0.01  -0.02   0.01    -0.38  -0.42   0.07
     8   1     0.38   0.17   0.18     0.04   0.01   0.01    -0.12  -0.08   0.14
     9   1     0.08  -0.25   0.16     0.00  -0.04   0.04    -0.08  -0.02   0.20
    10   6     0.04  -0.10   0.05     0.03  -0.03   0.21    -0.05   0.10   0.03
    11   6     0.05  -0.03   0.08    -0.01   0.02  -0.19    -0.07   0.00   0.08
    12   6    -0.02   0.03  -0.12     0.00   0.00  -0.02    -0.05  -0.01  -0.10
    13   6    -0.05  -0.02   0.05     0.02  -0.03   0.22     0.05   0.02   0.06
    14   6    -0.04  -0.10   0.10    -0.02   0.01  -0.20     0.05   0.12   0.04
    15   1     0.10  -0.14   0.12     0.06  -0.06   0.47    -0.13   0.15   0.14
    16   1     0.11  -0.02   0.19    -0.03   0.05  -0.42    -0.12  -0.04   0.20
    17   1    -0.03   0.10  -0.26     0.00   0.01  -0.05    -0.06  -0.07  -0.21
    18   1    -0.09   0.00   0.12     0.04  -0.05   0.47     0.14  -0.04   0.16
    19   1    -0.08  -0.14   0.25    -0.04   0.04  -0.41     0.10   0.13   0.15
                     10                     11                     12
                      A                      A                      A
 Frequencies --    499.0162               612.8037               638.1278
 Red. masses --      3.4016                 3.0190                 6.3136
 Frc consts  --      0.4991                 0.6680                 1.5147
 IR Inten    --     11.6171                18.1886                 0.3886
 RamAct Fr= 1--      4.4545                 0.9666                 4.7078
  Dep-P Fr= 1--      0.1633                 0.7413                 0.7499
  Dep-U Fr= 1--      0.2808                 0.8515                 0.8571
 Alpha2 Fr= 1--      0.0666                 0.0001                 0.0000
 Beta2  Fr= 1--      0.2085                 0.1372                 0.6725
 AlphaG Fr= 1--      0.0370                 0.0009                 0.0003
 Gamma2 Fr= 1--     -0.3845                -0.3887                -0.0346
 Delta2 Fr= 1--     -0.1355                -0.0113                 0.0005
 Raman1 Fr= 1--      17.818                  3.866                 18.831
 ROA1   Fr= 1--     -41.246                -37.677                 -3.302
 CID1   Fr= 1--      -2.315                 -9.745                 -0.175
 Raman2 Fr= 1--       2.502                  1.646                  8.070
 ROA2   Fr= 1--      -8.144                 -9.239                 -0.834
 CID2   Fr= 1--      -3.256                 -5.613                 -0.103
 Raman3 Fr= 1--       5.003                  3.292                 16.140
 ROA3   Fr= 1--     -41.246                -37.677                 -3.302
 CID3   Fr= 1--      -8.244                -11.445                 -0.205
 RC180  Fr= 1--      -0.438                  0.703                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.03  -0.16   0.02     0.07  -0.02  -0.01    -0.01  -0.01   0.01
     2   6     0.20  -0.00   0.04    -0.14   0.05   0.17     0.02  -0.00  -0.03
     3   1     0.08  -0.10   0.05     0.15  -0.28   0.06    -0.04   0.03  -0.01
     4   1     0.37   0.03   0.07    -0.10   0.11   0.16     0.03  -0.02  -0.02
     5   6     0.09   0.17  -0.02    -0.01  -0.01   0.01     0.00  -0.02  -0.01
     6   6     0.07   0.00  -0.18    -0.14   0.01  -0.11     0.01  -0.14  -0.00
     7   1     0.09   0.30  -0.07     0.27   0.23  -0.04    -0.03  -0.05  -0.00
     8   1    -0.18  -0.01  -0.12     0.05  -0.11  -0.12     0.01  -0.01   0.01
     9   1     0.13   0.43  -0.12    -0.07  -0.26  -0.16     0.01  -0.01   0.02
    10   6    -0.04  -0.07   0.00    -0.03   0.07  -0.08    -0.24  -0.21   0.02
    11   6    -0.05  -0.05   0.08     0.02   0.08   0.11    -0.24   0.24   0.03
    12   6    -0.15   0.02  -0.10     0.12   0.02  -0.14    -0.01   0.14   0.04
    13   6    -0.05   0.05   0.09     0.03  -0.07   0.08     0.26   0.23  -0.01
    14   6    -0.03   0.05   0.01    -0.00  -0.09  -0.09     0.22  -0.21  -0.03
    15   1    -0.10  -0.03   0.18     0.11  -0.02   0.12    -0.11  -0.29  -0.04
    16   1     0.04  -0.03   0.24    -0.04   0.00   0.42    -0.09   0.33  -0.03
    17   1    -0.16   0.03  -0.15     0.12  -0.01  -0.07    -0.03  -0.28  -0.03
    18   1     0.02  -0.01   0.26    -0.04  -0.04   0.39     0.13   0.32  -0.05
    19   1    -0.11  -0.02   0.19     0.11  -0.06   0.13     0.07  -0.29  -0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    712.5879               750.8529               792.4071
 Red. masses --      1.7856                 3.0320                 2.0928
 Frc consts  --      0.5342                 1.0071                 0.7742
 IR Inten    --     41.6492                22.1313                 9.8022
 RamAct Fr= 1--      0.0862                12.2023                 6.3022
  Dep-P Fr= 1--      0.5423                 0.0781                 0.2253
  Dep-U Fr= 1--      0.7032                 0.1449                 0.3677
 Alpha2 Fr= 1--      0.0003                 0.2253                 0.0800
 Beta2  Fr= 1--      0.0101                 0.2947                 0.3862
 AlphaG Fr= 1--      0.0001                 0.0304                -0.0049
 Gamma2 Fr= 1--     -0.0333                -0.3729                -0.8532
 Delta2 Fr= 1--      0.0069                -0.1205                -0.0612
 Raman1 Fr= 1--       0.345                 48.809                 25.209
 ROA1   Fr= 1--      -2.974                -39.655                -83.870
 CID1   Fr= 1--      -8.630                 -0.812                 -3.327
 Raman2 Fr= 1--       0.121                  3.537                  4.635
 ROA2   Fr= 1--      -0.854                 -7.986                -19.988
 CID2   Fr= 1--      -7.051                 -2.258                 -4.312
 Raman3 Fr= 1--       0.242                  7.074                  9.270
 ROA3   Fr= 1--      -2.974                -39.655                -83.870
 CID3   Fr= 1--     -12.273                 -5.606                 -9.048
 RC180  Fr= 1--       0.406                 -0.710                 -0.265
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01  -0.00   0.00     0.03  -0.07   0.04    -0.01  -0.02   0.02
     2   6    -0.00  -0.00   0.00     0.08  -0.03  -0.08     0.07  -0.04  -0.09
     3   1    -0.00  -0.03  -0.00    -0.02   0.04   0.01    -0.10   0.14  -0.03
     4   1     0.04   0.01   0.01     0.17  -0.10  -0.04    -0.08  -0.11  -0.09
     5   6    -0.00  -0.00  -0.00     0.07   0.08  -0.00     0.05   0.05  -0.02
     6   6    -0.02   0.01  -0.10    -0.11   0.02  -0.09    -0.00  -0.02   0.20
     7   1     0.02   0.02  -0.00    -0.06  -0.02   0.01    -0.19  -0.16   0.02
     8   1    -0.00  -0.01  -0.01     0.01   0.12   0.06     0.02   0.15   0.11
     9   1    -0.00  -0.01  -0.00     0.11   0.25   0.07     0.11   0.26   0.15
    10   6     0.00   0.01   0.08    -0.04   0.13   0.09    -0.03   0.05  -0.06
    11   6    -0.02   0.03  -0.14    -0.05   0.15   0.02    -0.03   0.06   0.01
    12   6     0.02  -0.01   0.07     0.15  -0.02   0.07     0.04   0.01  -0.12
    13   6    -0.02   0.00  -0.14    -0.07  -0.14  -0.02    -0.03  -0.06   0.00
    14   6     0.00  -0.02   0.07    -0.05  -0.13   0.06    -0.03  -0.04  -0.07
    15   1     0.06  -0.05   0.51     0.03   0.10  -0.14     0.00   0.03   0.00
    16   1    -0.00  -0.02   0.22    -0.29   0.10  -0.40    -0.05  -0.02   0.46
    17   1     0.07  -0.07   0.56     0.10   0.03  -0.38     0.09  -0.06   0.48
    18   1     0.00  -0.03   0.20    -0.27   0.01  -0.38    -0.06  -0.06   0.42
    19   1     0.06  -0.05   0.49     0.04  -0.06  -0.10    -0.00  -0.03  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    860.7018               902.9343               932.1247
 Red. masses --      1.2471                 2.4014                 1.3999
 Frc consts  --      0.5443                 1.1535                 0.7166
 IR Inten    --      0.1088                15.6494                 2.4269
 RamAct Fr= 1--      1.8360                 1.6431                 0.6686
  Dep-P Fr= 1--      0.7497                 0.6981                 0.7159
  Dep-U Fr= 1--      0.8570                 0.8222                 0.8344
 Alpha2 Fr= 1--      0.0000                 0.0015                 0.0004
 Beta2  Fr= 1--      0.2622                 0.2252                 0.0930
 AlphaG Fr= 1--     -0.0000                -0.0016                 0.0005
 Gamma2 Fr= 1--     -0.1542                 1.3299                 1.1268
 Delta2 Fr= 1--     -0.1417                 1.1291                -0.1107
 Raman1 Fr= 1--       7.344                  6.572                  2.674
 ROA1   Fr= 1--     -19.339                163.801                104.627
 CID1   Fr= 1--      -2.633                 24.923                 39.122
 Raman2 Fr= 1--       3.147                  2.702                  1.116
 ROA2   Fr= 1--      -2.568                 22.884                 27.928
 CID2   Fr= 1--      -0.816                  8.470                 25.030
 Raman3 Fr= 1--       6.293                  5.404                  2.232
 ROA3   Fr= 1--     -19.339                163.801                104.627
 CID3   Fr= 1--      -3.073                 30.312                 46.886
 RC180  Fr= 1--       0.714                  0.644                  0.669
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00    -0.06   0.15  -0.10     0.01  -0.01   0.01
     2   6    -0.00   0.00  -0.00     0.16  -0.03   0.09    -0.01   0.01  -0.00
     3   1    -0.01  -0.01  -0.00    -0.05   0.09  -0.09     0.03  -0.02   0.02
     4   1    -0.00   0.00   0.00     0.23   0.18   0.03     0.10   0.04   0.01
     5   6    -0.00  -0.00   0.00     0.00  -0.17   0.06    -0.02   0.00   0.01
     6   6     0.00  -0.00   0.00     0.04  -0.00   0.01    -0.01   0.01  -0.07
     7   1     0.00   0.00  -0.00    -0.04   0.20  -0.09     0.09   0.07   0.00
     8   1     0.00   0.00   0.00    -0.47  -0.59  -0.24     0.03  -0.02  -0.03
     9   1    -0.00  -0.00  -0.01     0.06   0.22  -0.13    -0.05  -0.10  -0.07
    10   6     0.01  -0.01   0.07    -0.01   0.03   0.01     0.01  -0.01   0.11
    11   6     0.01  -0.01   0.07    -0.03   0.05   0.01    -0.00   0.00  -0.02
    12   6    -0.00   0.00  -0.01     0.02   0.00  -0.01    -0.01   0.01  -0.10
    13   6    -0.01   0.01  -0.08    -0.05  -0.05   0.00     0.01   0.00   0.02
    14   6    -0.01   0.01  -0.07    -0.01  -0.04  -0.00     0.01  -0.00   0.08
    15   1    -0.05   0.06  -0.50    -0.03   0.05  -0.03    -0.05   0.07  -0.58
    16   1    -0.04   0.05  -0.47    -0.08   0.03   0.01     0.01  -0.02   0.11
    17   1     0.00  -0.00   0.05     0.03   0.01   0.05     0.06  -0.07   0.59
    18   1     0.05  -0.06   0.52    -0.11  -0.01   0.02    -0.00   0.02  -0.14
    19   1     0.05  -0.04   0.45    -0.03  -0.04  -0.03    -0.05   0.05  -0.43
                     19                     20                     21
                      A                      A                      A
 Frequencies --    969.7824               983.3983              1023.4296
 Red. masses --      1.3342                 1.2569                 2.5037
 Frc consts  --      0.7393                 0.7162                 1.5450
 IR Inten    --      0.0462                 0.3964                21.0657
 RamAct Fr= 1--      0.0331                 0.0216                44.6010
  Dep-P Fr= 1--      0.6478                 0.6209                 0.0661
  Dep-U Fr= 1--      0.7863                 0.7661                 0.1239
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.8478
 Beta2  Fr= 1--      0.0043                 0.0028                 0.9212
 AlphaG Fr= 1--     -0.0013                 0.0001                 0.2009
 Gamma2 Fr= 1--     -0.0478                -0.1462                -2.3333
 Delta2 Fr= 1--      0.0225                 0.0812                -0.8624
 Raman1 Fr= 1--       0.132                  0.087                178.404
 ROA1   Fr= 1--      -3.872                -11.438               -251.592
 CID1   Fr= 1--     -29.270               -132.169                 -1.410
 Raman2 Fr= 1--       0.052                  0.033                 11.055
 ROA2   Fr= 1--      -1.329                 -4.159                -49.099
 CID2   Fr= 1--     -25.549               -125.447                 -4.441
 Raman3 Fr= 1--       0.104                  0.066                 22.110
 ROA3   Fr= 1--      -3.872                -11.438               -251.592
 CID3   Fr= 1--     -37.225               -172.516                -11.379
 RC180  Fr= 1--       0.573                  0.532                 -0.752
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.02   0.07  -0.05
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.04  -0.09   0.10
     3   1    -0.01   0.00  -0.00     0.01   0.01   0.00     0.12  -0.26   0.04
     4   1    -0.01   0.00  -0.00     0.03   0.01  -0.00    -0.30  -0.31   0.11
     5   6     0.00  -0.00   0.00    -0.01  -0.00   0.01     0.11   0.02  -0.04
     6   6     0.00  -0.00   0.01     0.00  -0.00  -0.01    -0.06   0.01  -0.05
     7   1    -0.01   0.00  -0.00     0.03   0.03   0.00    -0.29  -0.19  -0.02
     8   1    -0.01  -0.01  -0.00     0.00  -0.01  -0.01    -0.12   0.09   0.14
     9   1     0.00   0.01  -0.01    -0.01  -0.03  -0.02     0.23   0.46   0.22
    10   6     0.01  -0.01   0.08     0.00   0.00   0.01    -0.09  -0.15   0.02
    11   6    -0.01   0.01  -0.11    -0.00   0.00  -0.03     0.02  -0.04  -0.01
    12   6     0.00  -0.00   0.05     0.01  -0.01   0.06     0.16  -0.01  -0.02
    13   6     0.00  -0.01   0.04    -0.01   0.01  -0.10     0.02   0.04  -0.00
    14   6    -0.01   0.01  -0.08     0.01  -0.01   0.08    -0.07   0.13   0.04
    15   1    -0.05   0.05  -0.48    -0.01   0.02  -0.11    -0.08  -0.15  -0.11
    16   1     0.07  -0.07   0.64     0.02  -0.03   0.27     0.03  -0.04  -0.00
    17   1    -0.03   0.04  -0.34    -0.04   0.04  -0.42     0.17  -0.01   0.01
    18   1    -0.02   0.02  -0.18     0.06  -0.07   0.64     0.02   0.05   0.01
    19   1     0.05  -0.04   0.39    -0.07   0.05  -0.53    -0.09   0.15  -0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1026.8371              1055.5359              1080.2475
 Red. masses --      2.9917                 2.2297                 2.4730
 Frc consts  --      1.8585                 1.4637                 1.7003
 IR Inten    --     10.5173                17.2428                30.4845
 RamAct Fr= 1--     14.3956                24.0073                 4.0956
  Dep-P Fr= 1--      0.0482                 0.0366                 0.5187
  Dep-U Fr= 1--      0.0919                 0.0706                 0.6831
 Alpha2 Fr= 1--      0.2856                 0.4896                 0.0185
 Beta2  Fr= 1--      0.2206                 0.2824                 0.4663
 AlphaG Fr= 1--     -0.0573                -0.0398                -0.0260
 Gamma2 Fr= 1--      1.1073                 0.5969                -0.0737
 Delta2 Fr= 1--      0.6720                 0.4093                -0.4208
 Raman1 Fr= 1--      57.582                 96.029                 16.383
 ROA1   Fr= 1--     127.809                 70.394                -20.544
 CID1   Fr= 1--       2.220                  0.733                 -1.254
 Raman2 Fr= 1--       2.647                  3.388                  5.596
 ROA2   Fr= 1--      21.200                 11.050                  1.597
 CID2   Fr= 1--       8.008                  3.261                  0.285
 Raman3 Fr= 1--       5.295                  6.777                 11.191
 ROA3   Fr= 1--     127.809                 70.394                -20.544
 CID3   Fr= 1--      24.139                 10.388                 -1.836
 RC180  Fr= 1--      -0.816                 -0.859                  0.366
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.02  -0.05   0.03     0.02  -0.03   0.02     0.03  -0.07   0.05
     2   6     0.05   0.05  -0.09    -0.00   0.01  -0.06     0.01   0.24  -0.01
     3   1    -0.11   0.23  -0.05    -0.10   0.19  -0.05     0.03  -0.06   0.06
     4   1     0.29   0.25  -0.10     0.04   0.13  -0.08    -0.11   0.18  -0.01
     5   6    -0.09  -0.00   0.04     0.01  -0.01   0.04     0.01  -0.11  -0.06
     6   6     0.06  -0.02   0.05    -0.04  -0.01   0.02     0.01   0.08  -0.01
     7   1     0.29   0.21   0.02     0.09   0.18  -0.01    -0.32  -0.26  -0.06
     8   1     0.12  -0.08  -0.13    -0.07  -0.14  -0.08    -0.20  -0.10   0.03
     9   1    -0.20  -0.42  -0.20    -0.00   0.01  -0.08     0.06   0.13   0.08
    10   6    -0.11  -0.17  -0.03    -0.04   0.07   0.01    -0.10  -0.07   0.00
    11   6    -0.03   0.08   0.01     0.02  -0.18  -0.02     0.05  -0.06  -0.01
    12   6     0.19  -0.02  -0.02     0.13  -0.02  -0.01     0.03   0.08   0.01
    13   6    -0.04  -0.07  -0.00     0.04   0.19   0.02    -0.06  -0.05  -0.00
    14   6    -0.09   0.21   0.01    -0.05  -0.05  -0.01     0.06  -0.06  -0.00
    15   1    -0.04  -0.22   0.07    -0.28   0.21   0.08    -0.33   0.07   0.04
    16   1    -0.03   0.08   0.01    -0.30  -0.36  -0.01     0.23   0.02  -0.02
    17   1     0.19  -0.04  -0.05     0.14  -0.05  -0.02     0.05   0.48   0.05
    18   1     0.00  -0.09  -0.01    -0.24   0.39   0.05    -0.26   0.07   0.04
    19   1    -0.05   0.22   0.11    -0.34  -0.20   0.05     0.29   0.06  -0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1087.6397              1130.7087              1185.6749
 Red. masses --      1.7013                 1.8254                 1.1184
 Frc consts  --      1.1858                 1.3750                 0.9264
 IR Inten    --     31.8936                 7.0848                 0.0607
 RamAct Fr= 1--      1.2801                 0.9220                 3.6859
  Dep-P Fr= 1--      0.2929                 0.7488                 0.7299
  Dep-U Fr= 1--      0.4531                 0.8564                 0.8439
 Alpha2 Fr= 1--      0.0134                 0.0000                 0.0013
 Beta2  Fr= 1--      0.0967                 0.1316                 0.5184
 AlphaG Fr= 1--     -0.0224                 0.0007                -0.0039
 Gamma2 Fr= 1--      0.2570                 0.5318                -0.0528
 Delta2 Fr= 1--      0.2617                 0.2149                -0.1729
 Raman1 Fr= 1--       5.120                  3.688                 14.744
 ROA1   Fr= 1--      33.048                 57.932                -10.603
 CID1   Fr= 1--       6.454                 15.708                 -0.719
 Raman2 Fr= 1--       1.160                  1.579                  6.221
 ROA2   Fr= 1--       4.075                 11.045                  0.115
 CID2   Fr= 1--       3.513                  6.994                  0.018
 Raman3 Fr= 1--       2.320                  3.158                 12.442
 ROA3   Fr= 1--      33.048                 57.932                -10.603
 CID3   Fr= 1--      14.246                 18.342                 -0.852
 RC180  Fr= 1--      -0.094                  0.713                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.05  -0.03   0.03     0.01  -0.04   0.04     0.00   0.00  -0.00
     2   6    -0.10  -0.03  -0.10    -0.01   0.18  -0.00    -0.01  -0.01  -0.00
     3   1    -0.18   0.33  -0.09     0.03  -0.03   0.04    -0.01   0.01  -0.00
     4   1    -0.23   0.13  -0.17    -0.09   0.18  -0.02    -0.04  -0.01  -0.01
     5   6     0.09  -0.00   0.10     0.02  -0.08  -0.04     0.00   0.00   0.01
     6   6    -0.11   0.00   0.01     0.00  -0.02  -0.01     0.01   0.00  -0.00
     7   1     0.06   0.39  -0.05    -0.26  -0.18  -0.05     0.01   0.02   0.00
     8   1    -0.26  -0.31  -0.13    -0.18  -0.09   0.02    -0.00  -0.01  -0.01
     9   1     0.14   0.36  -0.10     0.08   0.18   0.06     0.00   0.01  -0.01
    10   6     0.00  -0.03  -0.01     0.09   0.00  -0.01     0.01  -0.01  -0.00
    11   6     0.04   0.00  -0.00    -0.04   0.05   0.01    -0.04  -0.02   0.00
    12   6    -0.05   0.01   0.01    -0.00  -0.06  -0.01     0.01   0.07   0.01
    13   6     0.03  -0.01  -0.01     0.04   0.03   0.00     0.04  -0.03  -0.01
    14   6     0.02   0.03   0.00    -0.09   0.02   0.01    -0.01  -0.01  -0.00
    15   1     0.13  -0.11  -0.01     0.38  -0.17  -0.06     0.10  -0.07  -0.02
    16   1     0.22   0.09  -0.02    -0.17  -0.01   0.01    -0.42  -0.21   0.02
    17   1    -0.05   0.03   0.01    -0.03  -0.46  -0.05     0.04   0.66   0.07
    18   1     0.18  -0.11  -0.03     0.22  -0.08  -0.04     0.42  -0.27  -0.07
    19   1     0.20   0.13  -0.02    -0.44  -0.15   0.02    -0.21  -0.11   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1209.9564              1224.4277              1266.8272
 Red. masses --      1.1444                 2.1628                 1.4704
 Frc consts  --      0.9872                 1.9105                 1.3904
 IR Inten    --      2.2186                 9.1259                11.3267
 RamAct Fr= 1--      5.6701                15.4502                 7.4914
  Dep-P Fr= 1--      0.4922                 0.0681                 0.1406
  Dep-U Fr= 1--      0.6597                 0.1275                 0.2465
 Alpha2 Fr= 1--      0.0290                 0.2922                 0.1186
 Beta2  Fr= 1--      0.6234                 0.3284                 0.3078
 AlphaG Fr= 1--      0.0006                -0.0071                 0.1366
 Gamma2 Fr= 1--      0.2774                 0.6723                -0.8273
 Delta2 Fr= 1--      0.1103                 0.0622                -0.1900
 Raman1 Fr= 1--      22.680                 61.801                 29.966
 ROA1   Fr= 1--      30.159                 66.530                -85.498
 CID1   Fr= 1--       1.330                  1.077                 -2.853
 Raman2 Fr= 1--       7.481                  3.941                  3.694
 ROA2   Fr= 1--       5.775                 15.638                -18.334
 CID2   Fr= 1--       0.772                  3.968                 -4.963
 Raman3 Fr= 1--      14.961                  7.883                  7.388
 ROA3   Fr= 1--      30.159                 66.530                -85.498
 CID3   Fr= 1--       2.016                  8.440                -11.573
 RC180  Fr= 1--       0.319                 -0.745                 -0.507
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00   0.00     0.02  -0.01   0.01     0.02  -0.03  -0.02
     2   6     0.02   0.01  -0.00    -0.11  -0.03   0.02     0.09  -0.04   0.13
     3   1     0.02  -0.04   0.01    -0.10   0.19  -0.06    -0.34   0.62  -0.23
     4   1     0.09   0.01   0.01    -0.69  -0.02  -0.10    -0.33   0.41  -0.09
     5   6    -0.01  -0.01  -0.01     0.02   0.02   0.04    -0.03   0.01  -0.07
     6   6    -0.04  -0.01   0.01     0.24   0.04  -0.07    -0.06  -0.00  -0.04
     7   1    -0.01  -0.03   0.00     0.02   0.16  -0.01    -0.01  -0.19   0.02
     8   1     0.01   0.00  -0.00    -0.05  -0.04  -0.00     0.10   0.16   0.07
     9   1     0.00   0.02   0.00     0.02   0.07  -0.02    -0.02  -0.08   0.14
    10   6     0.05  -0.03  -0.01     0.06  -0.03  -0.00    -0.01   0.01   0.01
    11   6    -0.04  -0.03   0.00    -0.08   0.04   0.02     0.02  -0.01  -0.00
    12   6    -0.01   0.00   0.00     0.02   0.01  -0.00    -0.00  -0.01  -0.00
    13   6    -0.03   0.03   0.01    -0.07  -0.06   0.00     0.01   0.01   0.00
    14   6     0.04   0.03  -0.00     0.04  -0.01   0.00    -0.00   0.00   0.01
    15   1     0.46  -0.29  -0.08    -0.10   0.07  -0.00     0.05  -0.03  -0.05
    16   1    -0.45  -0.24   0.02    -0.27  -0.05   0.01     0.03  -0.00  -0.01
    17   1    -0.01   0.05   0.01     0.01  -0.07  -0.01    -0.00   0.02   0.00
    18   1    -0.31   0.22   0.06    -0.42   0.16   0.05     0.06  -0.02  -0.01
    19   1     0.46   0.25  -0.03    -0.11  -0.09  -0.02     0.04   0.03  -0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1325.7470              1356.6881              1373.5091
 Red. masses --      2.9171                 1.9555                 1.3740
 Frc consts  --      3.0208                 2.1206                 1.5272
 IR Inten    --      7.1212                 6.3985                15.6727
 RamAct Fr= 1--      3.8214                 0.5141                 4.3147
  Dep-P Fr= 1--      0.0711                 0.6813                 0.3867
  Dep-U Fr= 1--      0.1327                 0.8104                 0.5577
 Alpha2 Fr= 1--      0.0718                 0.0006                 0.0335
 Beta2  Fr= 1--      0.0845                 0.0694                 0.4011
 AlphaG Fr= 1--     -0.0430                 0.0062                -0.0027
 Gamma2 Fr= 1--      0.8294                 1.4418                -2.4584
 Delta2 Fr= 1--     -0.0714                -0.6167                -0.2168
 Raman1 Fr= 1--      15.286                  2.057                 17.259
 ROA1   Fr= 1--      77.335                118.675               -242.943
 CID1   Fr= 1--       5.059                 57.706                -14.077
 Raman2 Fr= 1--       1.014                  0.833                  4.813
 ROA2   Fr= 1--      20.476                 39.536                -57.266
 CID2   Fr= 1--      20.184                 47.443                -11.899
 Raman3 Fr= 1--       2.029                  1.667                  9.626
 ROA3   Fr= 1--      77.335                118.675               -242.943
 CID3   Fr= 1--      38.116                 71.205                -25.239
 RC180  Fr= 1--      -0.735                  0.621                  0.115
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.01     0.01  -0.00  -0.00     0.01  -0.00  -0.01
     2   6     0.13  -0.00  -0.02    -0.07  -0.03   0.02    -0.11  -0.06   0.02
     3   1     0.01  -0.03  -0.00    -0.05   0.08  -0.03    -0.06   0.11  -0.04
     4   1    -0.32  -0.38   0.01     0.40   0.29   0.01     0.57   0.34   0.03
     5   6    -0.07   0.01   0.04     0.03   0.00  -0.03     0.02  -0.03  -0.04
     6   6    -0.06   0.26   0.03     0.02   0.02   0.01     0.03   0.07   0.02
     7   1     0.19   0.06   0.06    -0.10  -0.05  -0.03    -0.03   0.04  -0.06
     8   1     0.14  -0.05  -0.11    -0.08   0.06   0.08     0.02   0.15   0.14
     9   1    -0.10  -0.10  -0.08     0.04   0.00   0.07     0.08   0.18   0.10
    10   6     0.06  -0.08  -0.01     0.13  -0.06  -0.02    -0.02   0.01   0.00
    11   6    -0.10  -0.10  -0.00    -0.08  -0.03   0.00    -0.03  -0.02   0.00
    12   6     0.01   0.10   0.01     0.01   0.14   0.01    -0.00  -0.03  -0.00
    13   6     0.12  -0.07  -0.02     0.07  -0.04  -0.01     0.02  -0.03  -0.01
    14   6    -0.10  -0.08   0.00    -0.14  -0.04   0.01     0.04   0.01  -0.01
    15   1     0.32  -0.25  -0.06    -0.43   0.29   0.08     0.26  -0.17  -0.04
    16   1     0.39   0.14  -0.02    -0.12  -0.05   0.01     0.21   0.10  -0.01
    17   1    -0.00  -0.08  -0.01    -0.01  -0.29  -0.03     0.01   0.21   0.02
    18   1    -0.22   0.15   0.04     0.12  -0.06  -0.01    -0.26   0.15   0.04
    19   1    -0.19  -0.13   0.01     0.41   0.24  -0.02    -0.31  -0.17   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1407.3434              1410.6040              1486.5301
 Red. masses --      1.1950                 1.2382                 2.1007
 Frc consts  --      1.3945                 1.4516                 2.7350
 IR Inten    --     32.1707                30.7261                11.0043
 RamAct Fr= 1--      3.3370                 3.1717                 1.9224
  Dep-P Fr= 1--      0.7476                 0.7258                 0.6052
  Dep-U Fr= 1--      0.8556                 0.8411                 0.7541
 Alpha2 Fr= 1--      0.0001                 0.0013                 0.0051
 Beta2  Fr= 1--      0.4759                 0.4446                 0.2416
 AlphaG Fr= 1--      0.0018                -0.0075                 0.0172
 Gamma2 Fr= 1--      0.7553                 0.4890                 0.3990
 Delta2 Fr= 1--     -0.5480                 0.4729                -0.1046
 Raman1 Fr= 1--      13.348                 12.687                  7.690
 ROA1   Fr= 1--      54.975                 62.075                 34.957
 CID1   Fr= 1--       4.119                  4.893                  4.546
 Raman2 Fr= 1--       5.710                  5.335                  2.899
 ROA2   Fr= 1--      22.512                  7.952                 10.413
 CID2   Fr= 1--       3.942                  1.490                  3.592
 Raman3 Fr= 1--      11.420                 10.671                  5.798
 ROA3   Fr= 1--      54.975                 62.075                 34.957
 CID3   Fr= 1--       4.814                  5.817                  6.029
 RC180  Fr= 1--       0.711                  0.682                  0.508
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.02   0.04    -0.02   0.02   0.04    -0.00  -0.00  -0.00
     2   6     0.04  -0.03  -0.03     0.01  -0.07  -0.03     0.03   0.04   0.01
     3   1     0.19  -0.33   0.15     0.18  -0.29   0.14    -0.01  -0.00  -0.00
     4   1    -0.23   0.47  -0.25    -0.15   0.53  -0.26    -0.14  -0.09   0.01
     5   6    -0.06  -0.08  -0.02     0.05   0.09   0.01     0.00  -0.02   0.01
     6   6    -0.00  -0.00  -0.01    -0.01   0.01  -0.00    -0.02  -0.15  -0.02
     7   1     0.26   0.22  -0.06    -0.21  -0.34   0.11    -0.15   0.13  -0.08
     8   1     0.36   0.20   0.11    -0.23  -0.22  -0.22     0.05   0.08   0.11
     9   1     0.06   0.41   0.04    -0.05  -0.35  -0.05    -0.01  -0.01  -0.16
    10   6     0.00  -0.00   0.00    -0.00   0.01   0.00     0.09   0.05  -0.00
    11   6     0.00  -0.00  -0.00    -0.01  -0.01   0.00    -0.14   0.01   0.01
    12   6     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.12  -0.01
    13   6    -0.00   0.00   0.00     0.02  -0.01  -0.00     0.13  -0.00  -0.01
    14   6    -0.01  -0.00   0.00     0.00   0.01   0.00    -0.08   0.06   0.02
    15   1    -0.05   0.03   0.01     0.06  -0.03  -0.01    -0.10   0.19   0.03
    16   1    -0.01  -0.01  -0.00     0.07   0.04  -0.00     0.32   0.26  -0.00
    17   1     0.00  -0.03  -0.00     0.00   0.08   0.01     0.04   0.60   0.06
    18   1     0.04  -0.02  -0.01    -0.07   0.05   0.01    -0.28   0.28   0.06
    19   1     0.04   0.02  -0.00    -0.05  -0.02   0.00     0.10   0.17   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1496.5011              1497.8098              1534.4018
 Red. masses --      1.0739                 1.0560                 2.1825
 Frc consts  --      1.4171                 1.3958                 3.0275
 IR Inten    --      3.5379                 8.0368                 8.1864
 RamAct Fr= 1--      4.0704                 3.1876                 0.2707
  Dep-P Fr= 1--      0.7003                 0.6828                 0.7402
  Dep-U Fr= 1--      0.8237                 0.8115                 0.8507
 Alpha2 Fr= 1--      0.0035                 0.0038                 0.0000
 Beta2  Fr= 1--      0.5588                 0.4311                 0.0384
 AlphaG Fr= 1--     -0.0024                -0.0047                 0.0001
 Gamma2 Fr= 1--     -2.3594                 0.7736                 0.4448
 Delta2 Fr= 1--     -0.0885                 0.6513                -0.1055
 Raman1 Fr= 1--      16.282                 12.750                  1.083
 ROA1   Fr= 1--    -229.340                 95.106                 39.324
 CID1   Fr= 1--     -14.086                  7.459                 36.312
 Raman2 Fr= 1--       6.706                  5.174                  0.461
 ROA2   Fr= 1--     -55.918                 13.356                 11.520
 CID2   Fr= 1--      -8.339                  2.582                 25.008
 Raman3 Fr= 1--      13.411                 10.347                  0.921
 ROA3   Fr= 1--    -229.340                 95.106                 39.324
 CID3   Fr= 1--     -17.100                  9.192                 42.685
 RC180  Fr= 1--       0.647                  0.623                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.01  -0.00  -0.01    -0.00   0.00  -0.00
     2   6    -0.02   0.02  -0.01    -0.03   0.01   0.02    -0.03  -0.00   0.00
     3   1     0.01   0.00   0.00    -0.04   0.08  -0.03     0.01   0.00   0.00
     4   1     0.01  -0.06   0.02     0.09  -0.01   0.05    -0.02   0.00  -0.00
     5   6    -0.03   0.02  -0.04    -0.02   0.02   0.04     0.00   0.00  -0.00
     6   6     0.00  -0.03  -0.00     0.01  -0.01  -0.00     0.14  -0.00  -0.01
     7   1     0.60  -0.24   0.18    -0.07  -0.43   0.17     0.01   0.02  -0.01
     8   1    -0.18  -0.22  -0.22     0.51  -0.21  -0.43    -0.05   0.00   0.02
     9   1     0.07   0.13   0.61     0.02   0.38  -0.35     0.00  -0.01   0.03
    10   6     0.02   0.00  -0.00     0.00   0.00  -0.00    -0.06   0.09   0.02
    11   6    -0.02   0.01   0.00    -0.01  -0.00   0.00    -0.11  -0.09   0.00
    12   6    -0.00  -0.02  -0.00     0.00  -0.00  -0.00     0.10  -0.03  -0.01
    13   6     0.02  -0.00  -0.00    -0.00   0.00   0.00    -0.11   0.12   0.02
    14   6    -0.01   0.01   0.00    -0.00   0.00   0.00    -0.08  -0.10  -0.00
    15   1    -0.04   0.04  -0.00    -0.02   0.02   0.01     0.41  -0.19  -0.06
    16   1     0.03   0.04   0.00     0.02   0.01  -0.00     0.43   0.18  -0.02
    17   1     0.00   0.09   0.01     0.00   0.01   0.00     0.13   0.03  -0.01
    18   1    -0.05   0.04   0.01     0.00   0.00   0.00     0.43  -0.21  -0.06
    19   1     0.01   0.02   0.00     0.02   0.01  -0.00     0.43   0.15  -0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1627.7043              1649.3763              3028.0905
 Red. masses --      5.4621                 5.5004                 1.0736
 Frc consts  --      8.5264                 8.8163                 5.7999
 IR Inten    --      0.8399                 1.6432                 7.1099
 RamAct Fr= 1--      8.0133                41.6540               240.0157
  Dep-P Fr= 1--      0.7452                 0.6271                 0.0841
  Dep-U Fr= 1--      0.8540                 0.7708                 0.1552
 Alpha2 Fr= 1--      0.0006                 0.0932                 4.3681
 Beta2  Fr= 1--      1.1406                 5.3513                 6.2072
 AlphaG Fr= 1--     -0.0088                 0.0035                -1.7292
 Gamma2 Fr= 1--      0.6095                 0.9870                -1.8550
 Delta2 Fr= 1--      0.2434                -0.3104                -0.8912
 Raman1 Fr= 1--      32.053                166.616                960.063
 ROA1   Fr= 1--      66.297                 84.822               -206.602
 CID1   Fr= 1--       2.068                  0.509                 -0.215
 Raman2 Fr= 1--      13.687                 64.215                 74.486
 ROA2   Fr= 1--      12.680                 26.172                -37.391
 CID2   Fr= 1--       0.926                  0.408                 -0.502
 Raman3 Fr= 1--      27.374                128.431                148.972
 ROA3   Fr= 1--      66.297                 84.822               -206.602
 CID3   Fr= 1--       2.422                  0.660                 -1.387
 RC180  Fr= 1--       0.708                  0.542                 -0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.01   0.04   0.00     0.03  -0.00  -0.00     0.01  -0.02  -0.07
     3   1     0.00  -0.01   0.00    -0.01   0.00  -0.00     0.01  -0.01  -0.01
     4   1    -0.10  -0.05   0.01     0.04  -0.01   0.01    -0.16   0.26   0.79
     5   6     0.01  -0.01  -0.00    -0.00   0.00  -0.00     0.00   0.02   0.02
     6   6    -0.00  -0.29  -0.03    -0.21   0.03   0.03     0.00  -0.00  -0.00
     7   1    -0.00   0.01  -0.01    -0.01  -0.01   0.00     0.08  -0.15  -0.43
     8   1    -0.03  -0.00   0.01     0.00   0.00  -0.00     0.04  -0.14   0.13
     9   1     0.01   0.02   0.02    -0.00  -0.02  -0.01    -0.15   0.03   0.02
    10   6    -0.09   0.20   0.03     0.28  -0.10  -0.04    -0.00  -0.00  -0.00
    11   6    -0.09  -0.21  -0.02    -0.27  -0.06   0.02     0.00  -0.00  -0.00
    12   6     0.03   0.36   0.04     0.14  -0.00  -0.01     0.00   0.00   0.00
    13   6     0.04  -0.20  -0.03    -0.27   0.08   0.04     0.00   0.00  -0.00
    14   6     0.11   0.17   0.01     0.30   0.06  -0.02    -0.00   0.00   0.00
    15   1     0.35  -0.07  -0.04    -0.30   0.26   0.06     0.01   0.01   0.00
    16   1     0.28  -0.05  -0.03     0.25   0.21  -0.00     0.00   0.00  -0.00
    17   1    -0.01  -0.50  -0.06     0.15  -0.02  -0.02    -0.00   0.00   0.00
    18   1    -0.21  -0.06   0.01     0.24  -0.25  -0.05     0.00  -0.00  -0.00
    19   1    -0.27  -0.02   0.03    -0.32  -0.27   0.01     0.00  -0.00  -0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3035.0030              3097.0587              3117.3157
 Red. masses --      1.0471                 1.1002                 1.1009
 Frc consts  --      5.6825                 6.2174                 6.3032
 IR Inten    --     19.0612                28.5173                22.6329
 RamAct Fr= 1--     54.3241                47.3197               102.4396
  Dep-P Fr= 1--      0.1092                 0.4178                 0.5418
  Dep-U Fr= 1--      0.1969                 0.5893                 0.7028
 Alpha2 Fr= 1--      0.9299                 0.3285                 0.4099
 Beta2  Fr= 1--      1.7825                 4.6479                11.9991
 AlphaG Fr= 1--      0.2063                 0.9677                -0.3900
 Gamma2 Fr= 1--      1.3430                 0.3963                -2.0439
 Delta2 Fr= 1--     -0.6018                 2.4858                -2.5491
 Raman1 Fr= 1--     217.296                189.279                409.759
 ROA1   Fr= 1--     109.667                117.595               -277.787
 CID1   Fr= 1--       0.505                  0.621                 -0.678
 Raman2 Fr= 1--      21.390                 55.775                143.989
 ROA2   Fr= 1--      37.045                -10.374                -28.662
 CID2   Fr= 1--       1.732                 -0.186                 -0.199
 Raman3 Fr= 1--      42.779                111.550                287.979
 ROA3   Fr= 1--     109.667                117.595               -277.787
 CID3   Fr= 1--       2.564                  1.054                 -0.965
 RC180  Fr= 1--      -0.606                  0.179                  0.406
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     2   6     0.01  -0.01  -0.04     0.00  -0.00  -0.01    -0.00   0.00   0.00
     3   1     0.00  -0.01  -0.01     0.00  -0.01  -0.00    -0.00   0.00  -0.00
     4   1    -0.09   0.14   0.45    -0.03   0.05   0.14     0.01  -0.02  -0.04
     5   6    -0.01  -0.04  -0.01     0.01   0.02  -0.09    -0.08   0.04   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   1    -0.10   0.19   0.54    -0.11   0.22   0.59     0.02  -0.06  -0.20
     8   1    -0.13   0.37  -0.34     0.19  -0.53   0.46     0.09  -0.28   0.26
     9   1     0.39  -0.09  -0.04    -0.16   0.04  -0.00     0.87  -0.18  -0.09
    10   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    12   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    13   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.01  -0.01  -0.00     0.01   0.01   0.00     0.02   0.02   0.00
    16   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    17   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    18   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    19   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3166.9710              3175.5023              3187.0981
 Red. masses --      1.0850                 1.0881                 1.0915
 Frc consts  --      6.4116                 6.4645                 6.5322
 IR Inten    --      0.4105                 6.7096                14.9840
 RamAct Fr= 1--     42.5965               119.0354                47.4001
  Dep-P Fr= 1--      0.6915                 0.7465                 0.6558
  Dep-U Fr= 1--      0.8176                 0.8549                 0.7921
 Alpha2 Fr= 1--      0.0436                 0.0071                 0.0799
 Beta2  Fr= 1--      5.8046                16.9596                 6.2578
 AlphaG Fr= 1--     -0.0124                -0.0042                -0.0588
 Gamma2 Fr= 1--      0.0323                 0.9645                 0.1975
 Delta2 Fr= 1--      0.2284                 0.5032                -0.9312
 Raman1 Fr= 1--     170.386                476.142                189.600
 ROA1   Fr= 1--      10.406                108.696                -10.835
 CID1   Fr= 1--       0.061                  0.228                 -0.057
 Raman2 Fr= 1--      69.656                203.515                 75.093
 ROA2   Fr= 1--      -1.053                 19.123                 12.191
 CID2   Fr= 1--      -0.015                  0.094                  0.162
 Raman3 Fr= 1--     139.311                407.030                150.187
 ROA3   Fr= 1--      10.406                108.696                -10.835
 CID3   Fr= 1--       0.075                  0.267                 -0.072
 RC180  Fr= 1--       0.635                  0.710                  0.584
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     4   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.00  -0.01   0.00     0.00  -0.01   0.01    -0.00   0.01  -0.01
     9   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    10   6     0.01   0.01   0.00     0.01   0.02   0.00    -0.01  -0.02  -0.00
    11   6     0.02  -0.04  -0.01     0.03  -0.05  -0.01    -0.01   0.03   0.00
    12   6    -0.05   0.00   0.00    -0.01   0.00   0.00    -0.06   0.00   0.01
    13   6     0.03   0.04   0.00    -0.03  -0.04  -0.00     0.00  -0.00  -0.00
    14   6     0.01  -0.02  -0.00    -0.01   0.03   0.00    -0.02   0.05   0.01
    15   1    -0.08  -0.13  -0.01    -0.13  -0.20  -0.01     0.15   0.23   0.01
    16   1    -0.23   0.45   0.07    -0.29   0.59   0.10     0.14  -0.29  -0.05
    17   1     0.57  -0.03  -0.06     0.08  -0.01  -0.01     0.63  -0.03  -0.06
    18   1    -0.31  -0.47  -0.03     0.32   0.50   0.03    -0.01   0.00   0.00
    19   1    -0.11   0.21   0.03     0.16  -0.33  -0.05     0.29  -0.56  -0.09
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3194.3051              3201.2175              3776.7472
 Red. masses --      1.0945                 1.0940                 1.0660
 Frc consts  --      6.5797                 6.6051                 8.9583
 IR Inten    --     19.6470                 7.3182                18.2674
 RamAct Fr= 1--    121.0112               218.0060                63.3433
  Dep-P Fr= 1--      0.1003                 0.1096                 0.1270
  Dep-U Fr= 1--      0.1824                 0.1976                 0.2254
 Alpha2 Fr= 1--      2.1170                 3.7276                 1.0375
 Beta2  Fr= 1--      3.6778                 7.1806                 2.3791
 AlphaG Fr= 1--      0.4011                -0.0283                 0.7724
 Gamma2 Fr= 1--      3.3400                -3.0671                 6.1985
 Delta2 Fr= 1--      3.1691                -2.3183                 0.6150
 Raman1 Fr= 1--     484.045                872.024                253.373
 ROA1   Fr= 1--     422.050               -368.628                614.731
 CID1   Fr= 1--       0.872                 -0.423                  2.426
 Raman2 Fr= 1--      44.133                 86.167                 28.549
 ROA2   Fr= 1--      54.806                -55.065                143.843
 CID2   Fr= 1--       1.242                 -0.639                  5.038
 Raman3 Fr= 1--      88.266                172.333                 57.098
 ROA3   Fr= 1--     422.050               -368.628                614.731
 CID3   Fr= 1--       4.782                 -2.139                 10.766
 RC180  Fr= 1--      -0.635                 -0.605                 -0.549
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.01  -0.06
     2   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.29   0.14   0.95
     4   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.01
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     7   1    -0.00   0.00   0.00    -0.00   0.00   0.01     0.00   0.00  -0.00
     8   1    -0.00   0.01  -0.01    -0.01   0.02  -0.02    -0.00  -0.00   0.00
     9   1    -0.01   0.00   0.00    -0.01   0.00   0.00     0.00   0.00  -0.00
    10   6    -0.02  -0.03  -0.00    -0.04  -0.06  -0.00     0.00  -0.00   0.00
    11   6    -0.00   0.01   0.00     0.02  -0.03  -0.01    -0.00  -0.00  -0.00
    12   6    -0.04   0.00   0.00     0.02   0.00  -0.00     0.00  -0.00   0.00
    13   6    -0.03  -0.04  -0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
    14   6     0.03  -0.05  -0.01    -0.01   0.01   0.00     0.00   0.00  -0.00
    15   1     0.20   0.32   0.02     0.45   0.70   0.04    -0.00  -0.00   0.00
    16   1     0.02  -0.06  -0.01    -0.19   0.37   0.06     0.00  -0.00  -0.00
    17   1     0.42  -0.02  -0.04    -0.27   0.01   0.03     0.00  -0.00   0.00
    18   1     0.29   0.45   0.02    -0.09  -0.15  -0.01     0.00   0.00   0.00
    19   1    -0.28   0.54   0.08     0.06  -0.11  -0.02    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   521.722681532.203461968.36885
           X            0.99962   0.02743  -0.00325
           Y           -0.02740   0.99960   0.00701
           Z            0.00344  -0.00692   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16602     0.05653     0.04400
 Rotational constants (GHZ):           3.45920     1.17787     0.91687
 Zero-point vibrational energy     422754.7 (Joules/Mol)
                                  101.04079 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     38.35   209.21   316.64   398.83   417.34
          (Kelvin)            494.02   570.95   595.55   681.96   717.97
                              881.69   918.12  1025.26  1080.31  1140.10
                             1238.36  1299.12  1341.12  1395.30  1414.89
                             1472.49  1477.39  1518.68  1554.24  1564.87
                             1626.84  1705.92  1740.86  1761.68  1822.68
                             1907.45  1951.97  1976.17  2024.85  2029.54
                             2138.79  2153.13  2155.01  2207.66  2341.90
                             2373.08  4356.75  4366.69  4455.98  4485.12
                             4556.56  4568.84  4585.52  4595.89  4605.84
                             5433.90
 
 Zero-point correction=                           0.161019 (Hartree/Particle)
 Thermal correction to Energy=                    0.169366
 Thermal correction to Enthalpy=                  0.170310
 Thermal correction to Gibbs Free Energy=         0.127380
 Sum of electronic and zero-point Energies=           -386.114894
 Sum of electronic and thermal Energies=              -386.106548
 Sum of electronic and thermal Enthalpies=            -386.105603
 Sum of electronic and thermal Free Energies=         -386.148533
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.278             32.215             90.353
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.844
 Vibrational            104.501             26.253             21.196
 Vibration     1          0.593              1.984              6.064
 Vibration     2          0.617              1.908              2.731
 Vibration     3          0.647              1.811              1.958
 Vibration     4          0.678              1.716              1.551
 Vibration     5          0.686              1.692              1.474
 Vibration     6          0.722              1.589              1.196
 Vibration     7          0.763              1.477              0.974
 Vibration     8          0.778              1.440              0.913
 Vibration     9          0.831              1.308              0.726
 Vibration    10          0.854              1.252              0.661
 Vibration    11          0.972              1.005              0.428
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.256598D-58        -58.590747       -134.910180
 Total V=0       0.296941D+16         15.472671         35.627140
 Vib (Bot)       0.107793D-71        -71.967408       -165.711081
 Vib (Bot)    1  0.776928D+01          0.890381          2.050177
 Vib (Bot)    2  0.139628D+01          0.144973          0.333813
 Vib (Bot)    3  0.898764D+00         -0.046354         -0.106735
 Vib (Bot)    4  0.694599D+00         -0.158266         -0.364421
 Vib (Bot)    5  0.659246D+00         -0.180953         -0.416659
 Vib (Bot)    6  0.539638D+00         -0.267898         -0.616857
 Vib (Bot)    7  0.450186D+00         -0.346608         -0.798095
 Vib (Bot)    8  0.426166D+00         -0.370421         -0.852925
 Vib (Bot)    9  0.354664D+00         -0.450183         -1.036585
 Vib (Bot)   10  0.329641D+00         -0.481959         -1.109751
 Vib (Bot)   11  0.240452D+00         -0.618971         -1.425234
 Vib (V=0)       0.124741D+03          2.096009          4.826240
 Vib (V=0)    1  0.828535D+01          0.918311          2.114489
 Vib (V=0)    2  0.198311D+01          0.297346          0.684664
 Vib (V=0)    3  0.152848D+01          0.184261          0.424276
 Vib (V=0)    4  0.135584D+01          0.132209          0.304423
 Vib (V=0)    5  0.132741D+01          0.123005          0.283229
 Vib (V=0)    6  0.123567D+01          0.091902          0.211613
 Vib (V=0)    7  0.117281D+01          0.069226          0.159399
 Vib (V=0)    8  0.115698D+01          0.063324          0.145810
 Vib (V=0)    9  0.111301D+01          0.046501          0.107072
 Vib (V=0)   10  0.109889D+01          0.040952          0.094296
 Vib (V=0)   11  0.105481D+01          0.023175          0.053363
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.449032D+06          5.652277         13.014849
 
                                                          ROA calculations.
                                                             IR Spectrum
 
      3               3333333 33                                             11 1111111111111111111                                  
      7               2111110 00                                             66 54444433322211000009999 8 77 7 66   4443 322 2  1    
      7               0987619 32                                             42 39981075262183885228730 6 95 1 31   9719 497 2  4   2
      7               1476777 58                                             98 48771747674061806733023 1 21 3 83   9447 307 0  5   7
 
      X               XXXXXXX XX                                             XX XXXXXXXXXXXXXXXXXXXX XX X XX X XX   XXXX XXX X  X   X
      X               XXXX XX XX                                                XX XXXXXXXX  XXXXXX   X   XX X  X   XX   XXX         
      X                XX  XX X                                                 XX XXXX  XX   XXXXX   X   XX X  X   XX   XXX         
      X                XX  XX X                                                    XXXX  X    XXX X   X    X X  X   X    XXX         
      X                XX  XX X                                                     XXX       XXX X   X    X X  X        XXX         
      X                X   XX X                                                     XX        XXX X        X X  X        XXX         
                           XX                                                       XX        XX  X        X X            XX         
                            X                                                       XX        XX             X            XX         
                            X                                                       XX        XX             X            XX         
                                                                                    XX        XX             X            XX         
                                                                                     X                       X            XX         
                                                                                                             X            XX         
                                                                                                             X            XX         
                                                                                                             X            XX         
                                                                                                                          XX         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000003628    0.000002084   -0.000005617
      2        6           0.000011094   -0.000006758    0.000005180
      3        1           0.000000439    0.000001446   -0.000001157
      4        1           0.000000208   -0.000000078    0.000002417
      5        6          -0.000001972   -0.000005787   -0.000005001
      6        6          -0.000002105    0.000037070    0.000004691
      7        1          -0.000000140    0.000000737    0.000001431
      8        1          -0.000000886    0.000000994    0.000000070
      9        1           0.000001112    0.000000549    0.000000635
     10        6           0.000014776   -0.000014667   -0.000003090
     11        6          -0.000019276   -0.000008097    0.000000300
     12        6           0.000001082    0.000019475    0.000002809
     13        6           0.000017413   -0.000013696   -0.000002984
     14        6          -0.000018375   -0.000015751   -0.000002376
     15        1          -0.000000477    0.000000594    0.000000408
     16        1           0.000000311    0.000000545    0.000000728
     17        1          -0.000000831   -0.000000636   -0.000000241
     18        1          -0.000001178    0.000001198   -0.000000073
     19        1           0.000002430    0.000000777    0.000001872
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000037070 RMS     0.000008480
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.129695D+03  0.136059D+01 -0.282997D+01
      2   0.136059D+01  0.107907D+03  0.273712D+01
      3  -0.282997D+01  0.273712D+01  0.711516D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.121486D+01 -0.399012D+01 -0.617720D+01
      2   0.127719D+02 -0.686929D+01  0.165569D+01
      3   0.114175D+02  0.407677D+02  0.673798D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.944911D+02 -0.900285D+01  0.100567D+02
      2   0.444993D+02  0.240440D+02 -0.460367D+01
      3   0.499917D+02 -0.150411D+02 -0.545303D+01
      4   0.238443D+02 -0.724393D+02 -0.166071D+02
      5   0.620567D+01 -0.167687D+02  0.531960D+01
      6  -0.537441D+01 -0.265401D+01  0.136264D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.414232D+01 -0.251435D+01  0.106110D+01 -0.484927D+01  0.350933D+01
      2  -0.251435D+01  0.208498D+01 -0.916966D+00  0.350933D+01 -0.454536D+01
      3   0.106110D+01 -0.916966D+00  0.139816D+01 -0.678143D+00  0.139837D+01
                 6             7             8             9            10 
      1  -0.678143D+00 -0.350778D+00 -0.717496D+00  0.125057D+01 -0.385460D+01
      2   0.139837D+01 -0.717496D+00  0.296908D+00 -0.107811D+01  0.863106D+00
      3  -0.433725D+00  0.125057D+01 -0.107811D+01 -0.507543D+01  0.850044D+00
                11            12            13            14            15 
      1   0.863106D+00  0.850044D+00  0.232537D+01 -0.471253D+01  0.247666D+00
      2  -0.233127D+01  0.358714D+00 -0.471253D+01 -0.105681D+00 -0.905175D+00
      3   0.358714D+00 -0.782950D+00  0.247666D+00 -0.905175D+00  0.190610D+01
                16            17            18            19            20 
      1   0.240375D+01  0.191326D+00 -0.292222D+01 -0.801459D+00  0.166413D+00
      2   0.191326D+00 -0.103751D+01  0.291227D+01  0.166413D+00 -0.213821D+00
      3  -0.292222D+01  0.291227D+01  0.672781D+01  0.257856D+00  0.312343D+00
                21            22            23            24            25 
      1   0.257856D+00  0.479245D+00  0.129625D+00  0.852999D-01  0.223033D+01
      2   0.312343D+00  0.129625D+00 -0.529001D+00  0.597668D+00 -0.533136D+00
      3  -0.140704D+01  0.852999D-01  0.597668D+00  0.320251D+00  0.656239D+00
                26            27            28            29            30 
      1  -0.533136D+00  0.656239D+00  0.208649D+01 -0.433262D+00 -0.181314D+01
      2   0.175173D+01 -0.112819D+01 -0.433262D+00  0.669826D+00  0.307269D+00
      3  -0.112819D+01  0.695263D+01 -0.181314D+01  0.307269D+00  0.137295D+01
                31            32            33            34            35 
      1  -0.185095D+01  0.166591D+01  0.515171D+00 -0.474365D+01  0.679667D+00
      2   0.166591D+01 -0.114244D+01 -0.118370D+01  0.679667D+00 -0.153713D+01
      3   0.515171D+00 -0.118370D+01 -0.175200D+01  0.292088D+01 -0.191276D+01
                36            37            38            39            40 
      1   0.292088D+01 -0.722062D+01  0.229039D+01  0.896397D+00  0.455466D+01
      2  -0.191276D+01  0.229039D+01  0.286105D+01 -0.286455D+00  0.292079D+01
      3  -0.760528D+01  0.896397D+00 -0.286455D+00  0.154168D+01 -0.236559D+00
                41            42            43            44            45 
      1   0.292079D+01 -0.236559D+00  0.587185D+00  0.175551D+00  0.458702D+00
      2  -0.362846D+00  0.171971D+01  0.175551D+00  0.190163D+01 -0.388162D+01
      3   0.171971D+01 -0.392249D+01  0.458702D+00 -0.388162D+01 -0.377598D+01
                46            47            48            49            50 
      1   0.173010D+02 -0.216068D+01 -0.689913D+00 -0.205024D+01 -0.189075D+01
      2  -0.216068D+01  0.278081D+01 -0.547280D-01 -0.189075D+01 -0.177269D+00
      3  -0.689913D+00 -0.547280D-01  0.214171D+01 -0.501698D+00  0.196682D+00
                51            52            53            54            55 
      1  -0.501698D+00 -0.524373D+00 -0.455678D+00  0.397784D+01  0.197053D+00
      2   0.196682D+00 -0.455678D+00 -0.930145D-01 -0.332590D+00  0.346832D-01
      3  -0.552536D+00  0.397784D+01 -0.332590D+00 -0.137279D+01  0.638742D+00
                56            57            58            59            60 
      1   0.346832D-01  0.638742D+00  0.179540D+00  0.148862D+00  0.566709D-01
      2  -0.557702D+00 -0.121331D+00  0.148862D+00  0.176748D+01  0.109640D+01
      3  -0.121331D+00 -0.686342D+00  0.566709D-01  0.109640D+01  0.171717D+01
                61            62            63            64            65 
      1   0.211726D+01  0.751232D+00  0.610994D+00 -0.607744D+00  0.243188D+00
      2   0.751232D+00  0.212756D+01  0.230553D+01  0.243188D+00 -0.907658D+00
      3   0.610994D+00  0.230553D+01  0.602218D+01 -0.578965D+00  0.377838D+00
                66            67            68            69            70 
      1  -0.578965D+00  0.134442D+01  0.307176D+00 -0.323164D-01 -0.158071D+01
      2   0.377838D+00  0.307176D+00  0.509914D+01 -0.249045D+01 -0.517615D+00
      3  -0.612151D+00 -0.323164D-01 -0.249045D+01  0.261583D+01  0.102859D+00
                71            72            73            74            75 
      1  -0.517615D+00  0.102859D+00  0.121642D+02  0.468038D+00 -0.769709D+00
      2  -0.315532D+01  0.258313D+01  0.468038D+00  0.107453D+01 -0.372242D-02
      3   0.258313D+01 -0.283879D+01 -0.769709D+00 -0.372242D-02  0.110734D+01
                76            77            78            79            80 
      1  -0.197649D+01  0.773793D+00  0.653164D-01 -0.100417D+01 -0.673150D-01
      2   0.773793D+00 -0.316937D+00 -0.248044D+00 -0.673150D-01 -0.438660D+00
      3   0.653164D-01 -0.248044D+00 -0.999201D-02  0.122671D+01  0.400188D+00
                81            82            83            84            85 
      1   0.122671D+01 -0.562382D+01 -0.930178D+00 -0.466082D-01  0.866516D+01
      2   0.400188D+00 -0.930178D+00  0.382755D+01  0.752964D+00  0.342367D+00
      3  -0.758186D-01 -0.466082D-01  0.752964D+00  0.187880D+01 -0.684528D-01
                86            87            88            89            90 
      1   0.342367D+00 -0.684528D-01  0.167968D+01  0.955616D-01  0.173194D+01
      2   0.193219D+01 -0.592507D+00  0.955616D-01 -0.993316D+00  0.360954D+01
      3  -0.592507D+00  0.213195D+01  0.173194D+01  0.360954D+01  0.390082D+00
                91            92            93            94            95 
      1   0.431673D+01  0.878290D-01 -0.289519D+00  0.601238D+01 -0.192527D+00
      2   0.878290D-01 -0.306327D+01  0.283748D+00 -0.192527D+00  0.143900D+01
      3  -0.289519D+00  0.283748D+00 -0.108683D+01  0.120748D+00 -0.613274D+00
                96            97            98            99           100 
      1   0.120748D+00  0.420471D-01  0.622978D+00 -0.227950D+01 -0.654029D+01
      2  -0.613274D+00  0.622978D+00 -0.537044D+00  0.404057D+01  0.237528D-01
      3   0.259440D+01 -0.227950D+01  0.404057D+01  0.178227D+01 -0.486659D+00
               101           102           103           104           105 
      1   0.237528D-01 -0.486659D+00  0.480638D+00  0.854732D+00  0.615063D+00
      2  -0.353849D+01 -0.232705D-01  0.854732D+00 -0.473162D+00 -0.306447D+00
      3  -0.232705D-01 -0.319768D+01  0.615063D+00 -0.306447D+00 -0.701094D-01
               106           107           108           109           110 
      1  -0.432478D+00  0.730121D+00 -0.559880D+01  0.281335D+01 -0.427054D+00
      2   0.730121D+00  0.296739D+00  0.892727D-01 -0.427054D+00 -0.348574D+01
      3  -0.559880D+01  0.892727D-01  0.108966D+01 -0.536494D+00 -0.719412D+00
               111           112           113           114           115 
      1  -0.536494D+00 -0.622575D+01  0.331473D+00  0.611478D+00 -0.147498D+01
      2  -0.719412D+00  0.331473D+00 -0.601857D+00  0.714567D+00  0.214396D-01
      3  -0.173118D+01  0.611478D+00  0.714567D+00 -0.253235D+01 -0.295954D+01
               116           117           118           119           120 
      1   0.214396D-01 -0.295954D+01 -0.443205D+01  0.208471D+01  0.258016D+00
      2   0.107028D+01 -0.374621D+01  0.208471D+01  0.358185D+01 -0.128020D+00
      3  -0.374621D+01 -0.478072D+00  0.258016D+00 -0.128020D+00  0.147051D+01
               121           122           123           124           125 
      1  -0.722179D+01  0.800045D+00 -0.180999D+00 -0.123881D+00 -0.444837D+00
      2   0.800045D+00 -0.182865D+01  0.526663D+00 -0.444837D+00  0.677091D-01
      3  -0.180999D+00  0.526663D+00 -0.190642D+01  0.906669D+00 -0.372231D+01
               126           127           128           129           130 
      1   0.906669D+00  0.383883D+01  0.219114D+01 -0.939900D-02  0.208655D+01
      2  -0.372231D+01  0.219114D+01  0.234770D+01  0.151359D-01  0.274946D+01
      3  -0.169771D+01 -0.939900D-02  0.151359D-01  0.899860D-01  0.147492D+00
               131           132           133           134           135 
      1   0.274946D+01  0.147492D+00 -0.301999D+00  0.102941D+00 -0.932255D-01
      2   0.652629D+01  0.345771D+00  0.102941D+00  0.467482D+00  0.656861D-03
      3   0.345771D+00  0.583780D+00 -0.932255D-01  0.656861D-03  0.212029D-01
               136           137           138           139           140 
      1  -0.281833D+01  0.292845D+01  0.526339D+00  0.265490D+01 -0.402549D+01
      2   0.292845D+01 -0.314124D+01 -0.557858D+00 -0.402549D+01  0.857000D+01
      3   0.526339D+00 -0.557858D+00 -0.478516D+00 -0.593078D+00  0.120568D+01
               141           142           143           144           145 
      1  -0.593078D+00  0.598093D+00 -0.764431D+00 -0.126937D+00 -0.129737D+02
      2   0.120568D+01 -0.764431D+00  0.134505D+01  0.112212D+00  0.409674D+00
      3   0.918697D+00 -0.126937D+00  0.112212D+00  0.110015D+00  0.113600D+01
               146           147           148           149           150 
      1   0.409674D+00  0.113600D+01  0.455925D+00 -0.156376D+01 -0.232050D+00
      2  -0.733991D+00 -0.222924D-01 -0.156376D+01  0.131194D+00  0.137981D+00
      3  -0.222924D-01 -0.930961D+00 -0.232050D+00  0.137981D+00  0.778527D-01
               151           152           153           154           155 
      1   0.136999D+01 -0.226871D+00  0.456290D-01 -0.393054D+01 -0.352961D+01
      2  -0.226871D+00  0.782364D-01  0.268790D-01 -0.352961D+01 -0.360369D+01
      3   0.456290D-01  0.268790D-01  0.105479D+00 -0.107112D+00 -0.764243D-01
               156           157           158           159           160 
      1  -0.107112D+00 -0.335019D+01 -0.448942D+01 -0.330735D+00 -0.939900D-01
      2  -0.764243D-01 -0.448942D+01 -0.770384D+01 -0.453116D+00 -0.160370D+00
      3  -0.462842D+00 -0.330735D+00 -0.453116D+00 -0.736878D+00  0.402039D-01
               161           162           163           164           165 
      1  -0.160370D+00  0.402039D-01  0.194320D+01 -0.179625D+01 -0.296975D+00
      2  -0.541543D+00 -0.403307D-01 -0.179625D+01  0.234857D+01  0.502468D+00
      3  -0.403307D-01 -0.714560D-01 -0.296975D+00  0.502468D+00  0.375370D+00
               166           167           168           169           170 
      1  -0.171409D+01  0.234092D+01  0.389127D+00 -0.397343D+00  0.516931D+00
      2   0.234092D+01 -0.767826D+01 -0.114677D+01  0.516931D+00 -0.106979D+01
      3   0.389127D+00 -0.114677D+01 -0.949518D+00  0.510108D-01 -0.238117D+00
               171 
      1   0.510108D-01
      2  -0.238117D+00
      3  -0.210007D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.150075D+01  0.103416D+01  0.325222D+01 -0.246017D+01  0.649740D+00
      2   0.952614D+00 -0.295338D+01  0.100186D+02 -0.209459D-01  0.328225D+01
      3   0.189045D+01 -0.101684D+02  0.188967D+01 -0.124259D+01  0.100127D+02
                 6             7             8             9            10 
      1  -0.659167D+01 -0.174320D+00  0.125800D+01 -0.765354D+01 -0.360243D+00
      2  -0.199864D+01  0.362141D+01 -0.129903D+01 -0.113002D+02  0.195737D+01
      3  -0.247126D+01  0.174989D+01 -0.181001D+01  0.101541D+01 -0.200705D+01
                11            12            13            14            15 
      1   0.456513D+00 -0.951631D-01  0.315772D+01  0.186147D+01 -0.260791D+00
      2   0.362641D+00 -0.214473D+01 -0.729856D+00 -0.415202D+01  0.360476D+01
      3   0.286933D+01  0.101379D+00  0.152428D+02  0.866238D+00  0.232955D+01
                16            17            18            19            20 
      1   0.354034D+00  0.401710D+01 -0.170210D+01  0.410740D+00 -0.416494D+00
      2  -0.117275D+02  0.483540D+01  0.104037D+02  0.300559D+01  0.298782D+00
      3   0.533418D+00  0.390950D+01 -0.715752D+01  0.123259D+01  0.100787D+01
                21            22            23            24            25 
      1  -0.224497D+01 -0.208187D+00  0.135174D+01  0.224916D+00  0.522077D+00
      2  -0.364286D+01 -0.114392D+01  0.101496D+01  0.861109D+00 -0.259378D+01
      3  -0.103388D+01  0.985713D+00  0.585940D+00 -0.769856D+00 -0.372554D+00
                26            27            28            29            30 
      1   0.889027D+00  0.105574D+02 -0.174164D+00 -0.144380D+01  0.128961D+00
      2  -0.264456D+01  0.158941D+02 -0.212687D+01  0.568253D+00  0.312170D+01
      3  -0.276639D+01  0.337133D+01  0.540867D+00 -0.353896D+01 -0.342229D+00
                31            32            33            34            35 
      1  -0.174808D+01  0.100634D+01 -0.749722D+00  0.763977D-01  0.239359D+01
      2   0.211976D+00 -0.675222D+00 -0.325602D+01  0.917707D+00 -0.302065D+01
      3  -0.211445D+01  0.202011D+01  0.231484D+01 -0.293167D+00  0.280076D+01
                36            37            38            39            40 
      1  -0.327411D+00 -0.209010D+01 -0.460819D+00 -0.269749D+01 -0.971248D+00
      2  -0.127358D+02  0.318626D+01  0.231075D+00  0.648015D+01  0.767397D+00
      3   0.399745D+01 -0.181288D+02 -0.918870D+01  0.239864D+01 -0.195210D+01
                41            42            43            44            45 
      1  -0.423415D+01  0.331759D+01  0.863005D+00  0.726256D+01  0.416710D+01
      2   0.542802D+01 -0.106258D+02 -0.110750D+01 -0.109578D+02 -0.967031D+01
      3   0.617599D+01 -0.583757D+01  0.213923D+01 -0.524683D+01  0.140726D+02
                46            47            48            49            50 
      1   0.688441D+00  0.132727D+01  0.133763D+01  0.306912D+01 -0.184948D+01
      2  -0.186264D+01 -0.682471D+00 -0.403441D+00 -0.598287D+00 -0.493633D+00
      3   0.701024D+01  0.594871D+01  0.129527D+00  0.163038D+02  0.920445D+00
                51            52            53            54            55 
      1   0.200096D+01  0.589020D+00  0.110296D+02  0.132822D+01 -0.584116D+00
      2  -0.653627D+00 -0.138894D+02 -0.823405D+00  0.117451D+00  0.274169D+01
      3  -0.361188D+00 -0.198308D+01 -0.272505D+01  0.514231D+00 -0.902732D+00
                56            57            58            59            60 
      1  -0.191999D+00  0.870462D+00 -0.158296D+00 -0.122144D+01 -0.412872D+01
      2  -0.208887D+00 -0.125794D+01 -0.551009D+00  0.284556D+01  0.501118D+01
      3   0.157980D+01  0.148416D+01  0.224700D+01 -0.487239D+01 -0.313992D+01
                61            62            63            64            65 
      1  -0.660916D+00 -0.644875D+00 -0.876081D+01  0.270450D+00 -0.202146D-02
      2  -0.176107D+01  0.600983D+01  0.159652D+02 -0.230823D+01  0.656154D+00
      3   0.164718D+01 -0.563235D+01 -0.716413D+01 -0.434470D+01  0.254611D+01
                66            67            68            69            70 
      1   0.132841D+01  0.151501D+00  0.149151D+01 -0.498841D+01  0.408287D+00
      2  -0.130820D+01  0.899693D+00 -0.606510D+01  0.640201D+01 -0.205074D+01
      3  -0.201982D+01  0.457776D+01 -0.143884D+02  0.741353D+01 -0.196906D+01
                71            72            73            74            75 
      1  -0.121293D+01  0.378014D+01  0.278356D+00 -0.336918D+00 -0.130186D+01
      2   0.583990D+01 -0.667982D+01 -0.524958D+00  0.279672D+00  0.585730D+01
      3   0.861147D+01 -0.770090D+01  0.135030D+02 -0.605754D+01 -0.107413D+01
                76            77            78            79            80 
      1  -0.189225D+00  0.337937D+00 -0.505086D+00 -0.103811D+01  0.502953D+00
      2   0.207747D-01 -0.510843D+00 -0.277882D+00  0.215332D+01  0.107679D+01
      3  -0.273680D+01  0.210132D+01  0.926126D+00 -0.116576D+01  0.140518D+01
                81            82            83            84            85 
      1  -0.166635D+00 -0.155217D+01  0.374010D+00 -0.348324D+01  0.956365D+00
      2   0.108226D+00 -0.261321D+01 -0.552243D-01 -0.195784D+01  0.259930D+01
      3  -0.409634D+00 -0.677736D+01 -0.339925D-01  0.138412D+01  0.570866D+01
                86            87            88            89            90 
      1   0.371330D+00 -0.265781D+01 -0.594779D+01  0.228414D+01  0.683025D+00
      2  -0.410427D+00 -0.484910D+00 -0.134295D+02  0.983630D-01  0.661211D+00
      3   0.483776D+01 -0.663542D+00  0.181009D+01  0.273007D-01  0.484903D+01
                91            92            93            94            95 
      1   0.194058D+01 -0.817556D+00  0.223284D+01  0.428489D-01  0.223305D+00
      2   0.443500D+00  0.416547D+00  0.419847D+00  0.812728D+00  0.208998D+01
      3   0.349025D+01 -0.114069D+02 -0.128161D+01  0.576748D+01  0.213823D+01
                96            97            98            99           100 
      1  -0.355733D+01  0.567695D+01  0.153600D+01 -0.104443D+01 -0.681733D-01
      2  -0.694102D+01 -0.728331D+01 -0.104845D+02 -0.226985D+01  0.191649D-01
      3  -0.140175D+01 -0.185729D+00 -0.827353D+00  0.555217D+01 -0.666748D+00
               101           102           103           104           105 
      1   0.757880D+00  0.695651D+00  0.297625D+00 -0.203006D+01  0.322332D+01
      2  -0.200214D+00  0.906764D+01 -0.236057D+01  0.226739D+00  0.185426D+00
      3  -0.760312D+01  0.122613D+00  0.116499D+02 -0.340030D+01 -0.171978D+01
               106           107           108           109           110 
      1   0.109100D+01  0.116234D+02  0.152237D+01 -0.120352D+01 -0.280451D+00
      2   0.885506D+01 -0.453414D+00 -0.226645D+01  0.101879D+01  0.196339D+01
      3   0.209552D+01 -0.648477D+00 -0.847681D+00  0.105946D+01 -0.139167D+02
               111           112           113           114           115 
      1  -0.313517D+01  0.117755D+01  0.303276D+00 -0.271735D+01 -0.650048D+01
      2   0.194549D+01 -0.579738D+00 -0.195070D+01  0.668553D+01 -0.490895D+01
      3  -0.160019D+01  0.309312D+01  0.185294D+01  0.126391D+01  0.240351D+00
               116           117           118           119           120 
      1   0.285636D+01  0.104450D+01  0.453347D+00 -0.416590D+00  0.271204D+01
      2   0.104716D+02  0.230892D+01 -0.297108D+01  0.110292D+01 -0.177296D+01
      3   0.300715D+01 -0.436279D+01 -0.899851D+00 -0.110729D+01 -0.154958D+01
               121           122           123           124           125 
      1  -0.971727D+00 -0.369042D+00 -0.312685D+01  0.502504D+01  0.190630D+01
      2   0.244748D+00  0.630605D+00  0.161752D+01 -0.135455D+02  0.113075D+01
      3   0.177394D+01 -0.858905D+01 -0.203377D-01 -0.259351D+01  0.349128D+00
               126           127           128           129           130 
      1  -0.127294D+01  0.339907D+00  0.267998D+00 -0.128759D+01 -0.267699D+00
      2   0.180481D+01 -0.630184D+00 -0.196928D+00  0.316103D+00 -0.908856D-01
      3  -0.570864D+01  0.120402D+02  0.430685D+01 -0.101241D+00  0.740079D+01
               131           132           133           134           135 
      1  -0.305690D+00 -0.322989D+01  0.495955D+00  0.189666D+01 -0.726603D-01
      2  -0.418384D+00  0.936445D+00 -0.173956D+01 -0.413360D+00  0.705867D-02
      3   0.672917D+01  0.457357D+00 -0.667002D+00  0.178992D+00 -0.539084D-01
               136           137           138           139           140 
      1  -0.253893D+00  0.159408D+00  0.189971D+01  0.134053D+00  0.159502D+00
      2  -0.504800D+00  0.771036D+00  0.198434D+01  0.536251D+00 -0.199281D+01
      3   0.850134D+00 -0.330502D+01 -0.448593D+00 -0.177993D+01  0.130529D+02
               141           142           143           144           145 
      1  -0.410011D+01 -0.586740D+00  0.195779D+01 -0.364062D+00 -0.128847D+00
      2  -0.305802D+01 -0.625072D+00  0.530314D+00 -0.336938D+00 -0.174424D+01
      3   0.170651D+01 -0.393109D+00  0.165057D+01 -0.559840D-01 -0.424441D+00
               146           147           148           149           150 
      1  -0.346210D+00  0.261772D+00 -0.174243D+00 -0.741143D-02 -0.405432D+00
      2  -0.270998D-01  0.623258D+01  0.826753D+00 -0.279145D+00 -0.387793D+00
      3  -0.525606D+01  0.115429D+00 -0.384416D+01  0.350422D+00  0.337049D+00
               151           152           153           154           155 
      1  -0.555487D-01  0.535846D+00 -0.253508D-02  0.237668D+00  0.451336D+00
      2  -0.302803D+01 -0.357495D-01 -0.526872D+00 -0.433955D+00 -0.375412D+00
      3  -0.818099D+00  0.523884D+00  0.180350D+00 -0.115542D+01 -0.458514D+01
               156           157           158           159           160 
      1  -0.209095D+01 -0.115852D+00  0.165266D+00 -0.365524D+01  0.825359D+00
      2   0.234416D+01  0.188262D+00  0.369044D+00  0.301022D+01 -0.941272D+00
      3   0.288515D-02 -0.294236D+01 -0.122102D+02 -0.479317D+00 -0.386743D+00
               161           162           163           164           165 
      1   0.167074D+01 -0.158603D+00  0.294986D+00 -0.115721D+00  0.161672D+01
      2  -0.748600D+00  0.171853D+00  0.979970D+00 -0.582317D+00  0.276876D+00
      3  -0.126096D+01 -0.852278D-01 -0.698916D+01  0.395186D+01  0.457860D+00
               166           167           168           169           170 
      1  -0.306842D+00  0.727319D+00 -0.366921D+01 -0.284097D+00  0.219507D+01
      2  -0.103268D+01  0.106113D+01 -0.630450D+00 -0.176914D+01  0.206661D+00
      3   0.671420D+01 -0.750247D+01 -0.129967D+01  0.612138D+00 -0.154651D+01
               171 
      1  -0.192035D+00
      2  -0.240988D+00
      3  -0.611447D-02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.181311D+02 -0.250778D+01 -0.108064D+01 -0.572400D+01 -0.209704D+01
      2  -0.787787D+01 -0.308785D+01 -0.255535D+01 -0.107554D+01  0.146329D+02
      3  -0.102533D+02  0.559563D+01  0.363599D+01  0.679954D+01 -0.125359D+02
      4  -0.168248D+02  0.214799D+02 -0.360728D+01  0.274052D+02 -0.268342D+02
      5   0.695853D+01 -0.415911D+01  0.145096D+02 -0.571347D+01  0.721770D+01
      6  -0.304218D+01  0.315533D+01 -0.546771D+01  0.495607D+01 -0.719657D+01
                 6             7             8             9            10 
      1   0.286127D+01  0.546165D+00 -0.311103D+00  0.108584D+02  0.997841D+01
      2  -0.138490D+00  0.104954D+01 -0.262277D+01  0.242173D+01 -0.642314D+01
      3  -0.272278D+01 -0.159570D+01  0.293387D+01 -0.132801D+02 -0.355527D+01
      4   0.756381D+01 -0.585904D+01  0.486566D+01 -0.955652D+01  0.438222D+01
      5  -0.458849D+01  0.130325D+02 -0.697699D+01 -0.158667D+02  0.361631D+01
      6   0.942985D+01 -0.561701D+01  0.588235D+01  0.695696D+01 -0.191952D+01
                11            12            13            14            15 
      1  -0.222431D+01  0.930402D+00 -0.618319D+01 -0.850823D+01  0.803038D+00
      2  -0.104861D+01 -0.183771D+01 -0.769147D+00 -0.152036D+01  0.151544D+01
      3   0.327292D+01  0.907305D+00  0.695233D+01  0.100286D+02 -0.231847D+01
      4  -0.212635D+02  0.687691D+00 -0.322602D+02 -0.141032D+01 -0.526170D+01
      5   0.719087D+00 -0.110536D+02  0.352504D+01 -0.446867D+01  0.895817D+01
      6  -0.220264D+01  0.104682D+01 -0.255184D+01  0.200711D+01 -0.612531D+01
                16            17            18            19            20 
      1  -0.935199D+01  0.168143D+01 -0.660706D+00 -0.954158D+00 -0.198277D+01
      2  -0.646848D+01  0.603589D+01  0.106452D+02 -0.433815D+00  0.117262D+01
      3   0.158205D+02 -0.771732D+01 -0.998446D+01  0.138797D+01  0.810146D+00
      4   0.436073D+01 -0.901032D+01  0.158014D+02  0.128324D+00 -0.178085D+01
      5  -0.165434D+02  0.145587D+02  0.266069D+02  0.138005D+01  0.366970D+00
      6   0.828354D+01  0.128351D+00 -0.560038D+01 -0.303448D+00 -0.139819D+01
                21            22            23            24            25 
      1   0.588116D+01 -0.774032D-01 -0.262432D+01  0.782450D-01  0.583724D+01
      2  -0.278662D+00 -0.743152D+00  0.197008D+01 -0.263494D+01 -0.307913D+01
      3  -0.560250D+01  0.820555D+00  0.654248D+00  0.255669D+01 -0.275811D+01
      4  -0.779688D+00  0.107832D+01 -0.119682D+01  0.198198D+01 -0.488546D+01
      5  -0.385830D+01  0.183317D+00  0.160577D+01  0.150586D+01  0.549075D+01
      6   0.302958D+01  0.373007D+00 -0.147859D+01  0.279812D+01 -0.967642D+00
                26            27            28            29            30 
      1   0.236414D+01 -0.141668D+02  0.537346D+01 -0.813896D+00 -0.417769D+01
      2  -0.125236D+01 -0.875343D+01 -0.645355D+01  0.123210D+01  0.480810D+01
      3  -0.111178D+01  0.229202D+02  0.108009D+01 -0.418208D+00 -0.630406D+00
      4   0.622137D+01 -0.231623D+01 -0.293390D+01  0.707774D+01  0.252493D+01
      5  -0.415873D+01  0.247297D+02 -0.997355D+01  0.248107D+01  0.125107D+02
      6   0.464150D+01 -0.139407D+02  0.259380D+01 -0.361830D+00 -0.141836D+01
                31            32            33            34            35 
      1  -0.371563D+00 -0.232254D+01 -0.265670D+01 -0.336009D+01 -0.328171D+01
      2   0.172691D+01 -0.247846D+00 -0.738616D+00  0.969021D+01 -0.207527D+01
      3  -0.135535D+01  0.257039D+01  0.339531D+01 -0.633012D+01  0.535698D+01
      4   0.997227D+01 -0.545293D+01 -0.555121D+01  0.384007D+01 -0.697460D+01
      5   0.347262D+01 -0.500112D+01 -0.770365D+01  0.188696D+02 -0.825019D+01
      6  -0.195450D+01  0.403549D+01  0.871711D+01 -0.479166D+01  0.578357D+01
                36            37            38            39            40 
      1  -0.100595D+02 -0.530532D+02  0.151953D+01  0.680133D+01  0.157790D+02
      2  -0.157323D+02  0.335374D+02  0.515669D+01 -0.457629D+01 -0.315812D+01
      3   0.257918D+02  0.195158D+02 -0.667621D+01 -0.222504D+01 -0.126209D+02
      4  -0.946824D+01  0.432263D+01  0.194368D+02 -0.251903D-01  0.215469D+02
      5  -0.320658D+02  0.762008D+01 -0.125100D+01  0.924643D+01 -0.129903D+01
      6   0.991839D+01  0.311723D+01 -0.105360D+01  0.602776D+01 -0.315953D+00
                41            42            43            44            45 
      1   0.176029D+02 -0.508069D+01  0.751512D+01 -0.337205D+01  0.167165D+02
      2  -0.676423D+01  0.668599D+01 -0.210340D+01  0.629706D+01 -0.118358D+02
      3  -0.108386D+02 -0.160530D+01 -0.541172D+01 -0.292501D+01 -0.488071D+01
      4   0.483302D+01  0.791063D+01  0.247422D+01  0.897503D+01 -0.160837D+02
      5   0.807670D+01 -0.183472D+02  0.308023D+01 -0.184281D+02 -0.189903D+02
      6   0.835867D+01 -0.114281D+02  0.420826D+00 -0.134173D+02 -0.676418D+01
                46            47            48            49            50 
      1  -0.218650D+02 -0.461598D+00 -0.820693D+00  0.350006D+01 -0.515501D+01
      2   0.764586D+01  0.568003D+00 -0.607864D+00  0.510889D+00  0.125290D+02
      3   0.142191D+02 -0.106405D+00  0.142856D+01 -0.401094D+01 -0.737395D+01
      4  -0.930435D+01  0.593477D+01 -0.145505D+00 -0.106651D+02  0.254787D+01
      5  -0.243356D+01 -0.773290D-01  0.243586D+01 -0.195095D+01  0.711345D+00
      6  -0.597425D+00 -0.534601D+00 -0.141671D+01  0.146236D+01  0.199711D+01
                51            52            53            54            55 
      1  -0.817883D-02  0.485949D+01  0.186014D+00 -0.970869D+01  0.324969D+01
      2   0.245790D+01 -0.174001D+01  0.641519D+00 -0.374666D+01 -0.253275D+01
      3  -0.244972D+01 -0.311948D+01 -0.827533D+00  0.134553D+02 -0.716940D+00
      4   0.108873D+01 -0.109088D+01  0.245282D+01 -0.149047D+01  0.238764D+00
      5  -0.174300D+01  0.451554D+01 -0.162737D+01  0.243839D-01  0.201895D+01
      6  -0.439048D+01  0.253338D+00  0.467270D+01 -0.132537D+01  0.226968D+01
                56            57            58            59            60 
      1   0.203396D+01  0.402671D+01  0.166772D+01 -0.673501D+01 -0.422068D+01
      2  -0.199972D+01 -0.108502D+01 -0.259267D+00  0.702085D+01  0.415550D+01
      3  -0.342322D-01 -0.294169D+01 -0.140845D+01 -0.285840D+00  0.651823D-01
      4  -0.149372D+01  0.156189D+01  0.311605D+01  0.817229D+01  0.496616D+01
      5   0.390662D+00 -0.454577D+00  0.949454D+00  0.513213D+01  0.904762D+01
      6  -0.634343D+00 -0.171457D+01  0.633889D+00  0.547693D+01  0.105904D+02
                61            62            63            64            65 
      1   0.796558D+01 -0.407365D+01 -0.123637D+02 -0.368630D+00  0.479384D+01
      2  -0.426780D+01  0.433273D+01  0.214031D-01  0.914982D+00 -0.440158D+01
      3  -0.369778D+01 -0.259076D+00  0.123423D+02 -0.546352D+00 -0.392266D+00
      4   0.785003D+01  0.106114D+02  0.100547D+02 -0.917010D+00 -0.118482D+01
      5   0.678523D+01  0.115725D+02  0.291824D+02 -0.183347D+01  0.366211D+00
      6   0.181091D+01  0.110460D+02  0.185831D+02 -0.240254D+01  0.223489D+01
                66            67            68            69            70 
      1  -0.482210D+01  0.538560D+01 -0.155915D+02  0.868532D+01 -0.601946D+01
      2   0.251917D+01 -0.257613D+01  0.218650D+02 -0.962724D+01  0.257930D+01
      3   0.230293D+01 -0.280947D+01 -0.627351D+01  0.941920D+00  0.344016D+01
      4  -0.753106D+00  0.687040D+01  0.228179D+02 -0.110012D+02 -0.625105D+01
      5  -0.105436D+01 -0.157043D+01 -0.114716D+02  0.125222D+02  0.353781D+01
      6  -0.293820D+01 -0.871896D+00 -0.133248D+02  0.127808D+02  0.760541D+00
                71            72            73            74            75 
      1   0.865944D+01 -0.115345D+02  0.855646D+02  0.984671D+00 -0.520126D+01
      2  -0.937890D+01  0.538904D+01 -0.461327D+02  0.172508D+01  0.345801D+01
      3   0.719459D+00  0.614548D+01 -0.394320D+02 -0.270975D+01  0.174325D+01
      4  -0.144815D+02  0.108423D+02  0.177562D+02  0.110708D+02 -0.105822D+01
      5   0.121170D+02 -0.122569D+02 -0.771110D+01 -0.146076D+00  0.110545D+02
      6   0.130860D+02 -0.125984D+02 -0.188439D+01 -0.314699D+00  0.257546D+01
                76            77            78            79            80 
      1  -0.131001D+02  0.505940D+01  0.105842D+01 -0.621941D+01  0.418444D+00
      2   0.893895D+01 -0.218156D+01 -0.121000D+01  0.411757D+01 -0.101619D+01
      3   0.416115D+01 -0.287784D+01  0.151587D+00  0.210184D+01  0.597749D+00
      4   0.700460D+01 -0.160288D+01 -0.135588D+01 -0.156147D+01 -0.237521D+01
      5   0.782952D+00 -0.158005D+01 -0.938071D+00  0.116877D+02  0.183886D+01
      6  -0.179674D+00 -0.541332D+00  0.157272D+01  0.168804D+01  0.245801D+01
                81            82            83            84            85 
      1   0.563462D+01  0.549963D+01 -0.173981D+02 -0.309579D+01  0.412473D-01
      2  -0.414492D+01 -0.508224D+01  0.125459D+02  0.111117D+01 -0.108164D+02
      3  -0.148970D+01 -0.417391D+00  0.485222D+01  0.198462D+01  0.107752D+02
      4   0.271749D+01 -0.795513D+01 -0.141216D+02  0.658427D+00  0.608308D+01
      5  -0.153876D+01 -0.145829D+01  0.105791D+01 -0.341820D+01  0.592321D+00
      6   0.226077D+00  0.290098D+01  0.117530D+01  0.736444D+01 -0.427047D+01
                86            87            88            89            90 
      1   0.168031D+01  0.147587D+01 -0.873942D+00  0.423391D+01 -0.151727D+02
      2  -0.674384D+01 -0.157165D+01 -0.784419D+00 -0.510355D+01  0.260755D+01
      3   0.506353D+01  0.957786D-01  0.165836D+01  0.869636D+00  0.125652D+02
      4  -0.132353D+02 -0.130671D+01 -0.296557D+00  0.234398D+01 -0.313631D+01
      5  -0.129370D+01  0.729086D+00  0.283014D+01 -0.371676D+01  0.175153D+01
      6  -0.235723D+01  0.705779D+01  0.397338D+01  0.148584D+02 -0.119152D+01
                91            92            93            94            95 
      1   0.127805D+01  0.221969D+02  0.514444D+00 -0.262425D+02  0.950579D+01
      2  -0.201017D+01 -0.143274D+02 -0.342416D+00  0.253691D+02 -0.145313D+02
      3   0.732126D+00 -0.786947D+01 -0.172028D+00  0.873375D+00  0.502547D+01
      4   0.136500D+02 -0.383590D+01 -0.467485D+01  0.940729D+01  0.435683D+01
      5   0.296456D+01 -0.494181D+01 -0.280412D+00 -0.729820D+00  0.396596D+01
      6  -0.473326D+01  0.315544D+01 -0.553129D+01  0.311439D+01 -0.645729D+01
                96            97            98            99           100 
      1   0.110729D+01 -0.110547D+01 -0.325437D+01 -0.481117D+01 -0.704527D+01
      2  -0.470416D+01  0.410549D+01 -0.261755D+01 -0.447158D+01  0.305639D+01
      3   0.359686D+01 -0.300002D+01  0.587192D+01  0.928275D+01  0.398888D+01
      4   0.388315D+01 -0.490258D+01  0.705173D+01 -0.166032D+02  0.826089D+00
      5  -0.145799D+02  0.146769D+02 -0.163903D+02 -0.503285D+01  0.802148D+01
      6   0.776313D+01 -0.680599D+01  0.160609D+02  0.293624D+01  0.664588D-01
               101           102           103           104           105 
      1   0.169400D+01  0.608417D+01 -0.288649D+01 -0.210634D+02 -0.368572D+01
      2  -0.117658D+01 -0.322980D+01  0.227912D+01  0.192009D+02  0.602513D+01
      3  -0.517417D+00 -0.285437D+01  0.607367D+00  0.186254D+01 -0.233940D+01
      4   0.243954D+02  0.188790D+00 -0.235853D+02  0.576474D+01  0.328326D+01
      5   0.149992D+00  0.202736D+02 -0.709730D+01  0.260972D+01  0.193417D+00
      6  -0.549425D+00 -0.141386D+01  0.301119D+01  0.227719D+01 -0.710469D+01
               106           107           108           109           110 
      1   0.896053D+01 -0.431063D+01  0.150329D+02  0.151411D+01 -0.235753D+02
      2  -0.319961D+01  0.349984D+01 -0.194428D+02 -0.315796D+01  0.137273D+02
      3  -0.576092D+01  0.810793D+00  0.440993D+01  0.164385D+01  0.984802D+01
      4  -0.754320D+01 -0.111320D+01 -0.762544D+00 -0.176438D+02  0.316210D+01
      5   0.372151D+02 -0.171013D+00 -0.492832D+01  0.135820D-01  0.475127D+01
      6  -0.918832D+00  0.535634D+01 -0.263719D+01  0.323682D+01  0.255273D+01
               111           112           113           114           115 
      1  -0.335541D+01  0.269520D+02  0.712824D+01  0.906283D+00  0.576365D+01
      2  -0.238882D+00 -0.266611D+02 -0.122545D+02 -0.525393D+00 -0.592684D+01
      3   0.359430D+01 -0.290959D+00  0.512624D+01 -0.380891D+00  0.163188D+00
      4   0.452517D+01  0.645761D+01 -0.116206D+02 -0.551089D+01  0.243786D+01
      5   0.421241D+01 -0.159338D+01 -0.501859D+01  0.143231D+02  0.190251D+02
      6   0.700714D+01 -0.448294D+01 -0.327351D+01  0.701182D+01  0.800382D+01
               116           117           118           119           120 
      1   0.525388D+01 -0.771312D-01  0.812447D+01  0.141042D+02 -0.292942D+00
      2  -0.614856D+01 -0.701599D+01 -0.642411D+01 -0.976305D+01  0.152722D+01
      3   0.894680D+00  0.709312D+01 -0.170037D+01 -0.434111D+01 -0.123428D+01
      4  -0.390140D+01  0.158202D+02  0.109422D+02 -0.185564D+02 -0.296710D+01
      5   0.163826D+02  0.501343D+01 -0.235750D+00 -0.335202D+01 -0.478510D+01
      6   0.146801D+02 -0.104831D+01 -0.261333D+01  0.171802D+01 -0.567944D+01
               121           122           123           124           125 
      1  -0.120157D+01  0.557694D+01  0.351373D+01 -0.155025D+01 -0.189553D-01
      2   0.851241D+01 -0.107332D+02 -0.425810D+01  0.291486D+01 -0.407742D+01
      3  -0.731084D+01  0.515625D+01  0.744362D+00 -0.136461D+01  0.409638D+01
      4   0.104233D+02  0.133266D+02  0.138153D+01  0.164838D+01  0.323203D+01
      5   0.134741D+01  0.121832D+01  0.854602D+00 -0.272571D+00  0.540985D+01
      6   0.299383D+01 -0.611118D+01  0.599305D+01 -0.387479D+01  0.144642D+02
               126           127           128           129           130 
      1  -0.167052D+02 -0.150148D+00 -0.636245D+01  0.138707D-01 -0.821166D+01
      2   0.212051D+01  0.380836D+01  0.950741D+01  0.194425D+00  0.116702D+02
      3   0.145847D+02 -0.365822D+01 -0.314495D+01 -0.208295D+00 -0.345854D+01
      4   0.554459D+01  0.956531D+01  0.744613D+01  0.264016D+00  0.702233D+01
      5   0.430917D+01  0.193116D+00  0.473578D+00  0.833235D+00  0.589596D+00
      6   0.423392D+01 -0.418362D+00 -0.236041D+00  0.120420D+01  0.647817D+00
               131           132           133           134           135 
      1  -0.231854D+02 -0.123870D+01 -0.107196D+01 -0.170088D+01 -0.454010D+00
      2   0.323438D+02  0.117847D+01  0.104258D+01  0.215364D+01  0.100488D+01
      3  -0.915841D+01  0.602355D-01  0.293879D-01 -0.452759D+00 -0.550872D+00
      4   0.623428D+01  0.264534D+00  0.135436D+00 -0.313901D+00  0.117451D+01
      5   0.857974D+00  0.939850D+00  0.516036D+00  0.689966D+00  0.985807D-02
      6   0.143396D+01  0.488947D+01  0.375695D+00  0.906442D+00  0.524883D+00
               136           137           138           139           140 
      1   0.829003D+01 -0.626837D+01 -0.828326D+00 -0.130461D+01 -0.100522D+02
      2   0.244589D+01 -0.505194D+01 -0.202689D+00 -0.109678D+02  0.323448D+02
      3  -0.107359D+02  0.113203D+02  0.103101D+01  0.122724D+02 -0.222926D+02
      4  -0.223069D+02  0.258525D+02  0.406043D+01  0.278273D+02 -0.480560D+02
      5  -0.336078D+01  0.362276D+01  0.458404D+01  0.355022D+01 -0.559880D+01
      6   0.263611D+01 -0.314249D+01 -0.278514D+01 -0.364762D+01  0.771715D+01
               141           142           143           144           145 
      1  -0.153747D+01 -0.794868D+00 -0.566129D+00 -0.633077D+00  0.989428D+02
      2   0.304845D+01 -0.131279D+01  0.372867D+01  0.167953D+01 -0.568318D+02
      3  -0.151098D+01  0.210766D+01 -0.316254D+01 -0.104645D+01 -0.421110D+02
      4  -0.648646D+01  0.527321D+01 -0.787764D+01 -0.206239D+01 -0.587081D+01
      5  -0.492596D+01  0.151336D+01 -0.136435D+01 -0.122860D+01 -0.102015D+02
      6   0.723735D+01 -0.137278D+01  0.249502D+01  0.167966D+01 -0.107914D+01
               146           147           148           149           150 
      1  -0.276523D+01 -0.720628D+01 -0.273981D+01  0.904937D+01  0.988313D+00
      2   0.130314D+01  0.496728D+01  0.123131D+01 -0.446257D+01 -0.892735D+00
      3   0.146209D+01  0.223900D+01  0.150850D+01 -0.458680D+01 -0.955778D-01
      4   0.854798D+01  0.352344D+00  0.146169D+02 -0.147133D+01 -0.117371D+01
      5   0.181092D+00  0.103873D+02  0.185451D+01 -0.107478D+01 -0.618481D+00
      6  -0.542918D+00 -0.160053D+00 -0.841466D+00 -0.947682D-01  0.172422D+01
               151           152           153           154           155 
      1  -0.993970D+01  0.111739D+01  0.257014D+01  0.153522D+02  0.104979D+02
      2   0.585566D+01 -0.767736D+00 -0.141324D+01 -0.572800D+00  0.339115D+01
      3   0.408404D+01 -0.349652D+00 -0.115690D+01 -0.147794D+02 -0.138891D+02
      4   0.224971D+01 -0.975103D+00 -0.402723D+00  0.282239D+02  0.293360D+02
      5   0.176107D+01 -0.287541D+00 -0.176072D+01  0.182317D+01  0.136917D+01
      6  -0.144832D-01  0.627146D+00  0.332758D+00  0.346330D+00  0.181869D+00
               156           157           158           159           160 
      1   0.627618D+00  0.579925D+01 -0.143321D+01  0.191098D-01 -0.739307D+00
      2  -0.153758D+00  0.880855D+01  0.234265D+02  0.468194D+00  0.102718D+01
      3  -0.473860D+00 -0.146078D+02 -0.219933D+02 -0.487304D+00 -0.287873D+00
      4   0.923317D+00  0.319503D+02  0.469354D+02  0.274223D+01  0.106563D+01
      5   0.473893D+01  0.272019D+01  0.363568D+01  0.471620D+01  0.107365D+01
      6   0.269006D+01  0.152472D+01  0.227445D+01  0.588036D+01  0.907743D+00
               161           162           163           164           165 
      1  -0.103890D+01 -0.397160D+00 -0.493598D+01  0.834893D+01  0.222812D+01
      2   0.194810D+01  0.123317D+01  0.606093D+01 -0.103796D+02 -0.159029D+01
      3  -0.909200D+00 -0.836015D+00 -0.112495D+01  0.203071D+01 -0.637833D+00
      4   0.245991D+01  0.165452D+01 -0.491838D+01  0.640421D+01  0.100107D+01
      5   0.770831D+00  0.235377D+00 -0.231797D+00  0.734699D+00  0.126936D+01
      6   0.151926D+01  0.705155D+00  0.182618D+01 -0.320280D+01 -0.242013D+01
               166           167           168           169           170 
      1   0.801088D+01 -0.287734D+02 -0.489350D+01  0.146534D+01 -0.381102D+01
      2  -0.102067D+02  0.379822D+02  0.441575D+01 -0.161325D+01  0.459812D+01
      3   0.219586D+01 -0.920879D+01  0.477746D+00  0.147913D+00 -0.787094D+00
      4   0.542347D+01 -0.274785D+01 -0.248203D+00  0.105496D+01 -0.119108D+01
      5   0.386766D+00  0.476021D+00 -0.345360D+00  0.900065D+00 -0.608360D+00
      6  -0.243089D+01  0.799437D+01  0.675401D+01 -0.754050D+00  0.265853D+01
               171 
      1  -0.150254D+01
      2   0.199931D+01
      3  -0.496775D+00
      4  -0.172747D+01
      5  -0.102372D+01
      6   0.174605D+01
 Leave Link  716 at Thu Aug 12 22:55:46 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.129695D+03  0.136059D+01 -0.282997D+01
      2   0.136059D+01  0.107907D+03  0.273712D+01
      3  -0.282997D+01  0.273712D+01  0.711516D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.121486D+01 -0.399012D+01 -0.617720D+01
      2   0.127719D+02 -0.686929D+01  0.165569D+01
      3   0.114175D+02  0.407677D+02  0.673798D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.944911D+02 -0.900285D+01  0.100567D+02
      2   0.444993D+02  0.240440D+02 -0.460367D+01
      3   0.499917D+02 -0.150411D+02 -0.545303D+01
      4   0.238443D+02 -0.724393D+02 -0.166071D+02
      5   0.620567D+01 -0.167687D+02  0.531960D+01
      6  -0.537441D+01 -0.265401D+01  0.136264D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.414232D+01 -0.251435D+01  0.106110D+01 -0.484927D+01  0.350933D+01
      2  -0.251435D+01  0.208498D+01 -0.916966D+00  0.350933D+01 -0.454536D+01
      3   0.106110D+01 -0.916966D+00  0.139816D+01 -0.678143D+00  0.139837D+01
                 6             7             8             9            10 
      1  -0.678143D+00 -0.350778D+00 -0.717496D+00  0.125057D+01 -0.385460D+01
      2   0.139837D+01 -0.717496D+00  0.296908D+00 -0.107811D+01  0.863106D+00
      3  -0.433725D+00  0.125057D+01 -0.107811D+01 -0.507543D+01  0.850044D+00
                11            12            13            14            15 
      1   0.863106D+00  0.850044D+00  0.232537D+01 -0.471253D+01  0.247666D+00
      2  -0.233127D+01  0.358714D+00 -0.471253D+01 -0.105681D+00 -0.905175D+00
      3   0.358714D+00 -0.782950D+00  0.247666D+00 -0.905175D+00  0.190610D+01
                16            17            18            19            20 
      1   0.240375D+01  0.191326D+00 -0.292222D+01 -0.801459D+00  0.166413D+00
      2   0.191326D+00 -0.103751D+01  0.291227D+01  0.166413D+00 -0.213821D+00
      3  -0.292222D+01  0.291227D+01  0.672781D+01  0.257856D+00  0.312343D+00
                21            22            23            24            25 
      1   0.257856D+00  0.479245D+00  0.129625D+00  0.852999D-01  0.223033D+01
      2   0.312343D+00  0.129625D+00 -0.529001D+00  0.597668D+00 -0.533136D+00
      3  -0.140704D+01  0.852999D-01  0.597668D+00  0.320251D+00  0.656239D+00
                26            27            28            29            30 
      1  -0.533136D+00  0.656239D+00  0.208649D+01 -0.433262D+00 -0.181314D+01
      2   0.175173D+01 -0.112819D+01 -0.433262D+00  0.669826D+00  0.307269D+00
      3  -0.112819D+01  0.695263D+01 -0.181314D+01  0.307269D+00  0.137295D+01
                31            32            33            34            35 
      1  -0.185095D+01  0.166591D+01  0.515171D+00 -0.474365D+01  0.679667D+00
      2   0.166591D+01 -0.114244D+01 -0.118370D+01  0.679667D+00 -0.153713D+01
      3   0.515171D+00 -0.118370D+01 -0.175200D+01  0.292088D+01 -0.191276D+01
                36            37            38            39            40 
      1   0.292088D+01 -0.722062D+01  0.229039D+01  0.896397D+00  0.455466D+01
      2  -0.191276D+01  0.229039D+01  0.286105D+01 -0.286455D+00  0.292079D+01
      3  -0.760528D+01  0.896397D+00 -0.286455D+00  0.154168D+01 -0.236559D+00
                41            42            43            44            45 
      1   0.292079D+01 -0.236559D+00  0.587185D+00  0.175551D+00  0.458702D+00
      2  -0.362846D+00  0.171971D+01  0.175551D+00  0.190163D+01 -0.388162D+01
      3   0.171971D+01 -0.392249D+01  0.458702D+00 -0.388162D+01 -0.377598D+01
                46            47            48            49            50 
      1   0.173010D+02 -0.216068D+01 -0.689913D+00 -0.205024D+01 -0.189075D+01
      2  -0.216068D+01  0.278081D+01 -0.547280D-01 -0.189075D+01 -0.177269D+00
      3  -0.689913D+00 -0.547280D-01  0.214171D+01 -0.501698D+00  0.196682D+00
                51            52            53            54            55 
      1  -0.501698D+00 -0.524373D+00 -0.455678D+00  0.397784D+01  0.197053D+00
      2   0.196682D+00 -0.455678D+00 -0.930145D-01 -0.332590D+00  0.346832D-01
      3  -0.552536D+00  0.397784D+01 -0.332590D+00 -0.137279D+01  0.638742D+00
                56            57            58            59            60 
      1   0.346832D-01  0.638742D+00  0.179540D+00  0.148862D+00  0.566709D-01
      2  -0.557702D+00 -0.121331D+00  0.148862D+00  0.176748D+01  0.109640D+01
      3  -0.121331D+00 -0.686342D+00  0.566709D-01  0.109640D+01  0.171717D+01
                61            62            63            64            65 
      1   0.211726D+01  0.751232D+00  0.610994D+00 -0.607744D+00  0.243188D+00
      2   0.751232D+00  0.212756D+01  0.230553D+01  0.243188D+00 -0.907658D+00
      3   0.610994D+00  0.230553D+01  0.602218D+01 -0.578965D+00  0.377838D+00
                66            67            68            69            70 
      1  -0.578965D+00  0.134442D+01  0.307176D+00 -0.323164D-01 -0.158071D+01
      2   0.377838D+00  0.307176D+00  0.509914D+01 -0.249045D+01 -0.517615D+00
      3  -0.612151D+00 -0.323164D-01 -0.249045D+01  0.261583D+01  0.102859D+00
                71            72            73            74            75 
      1  -0.517615D+00  0.102859D+00  0.121642D+02  0.468038D+00 -0.769709D+00
      2  -0.315532D+01  0.258313D+01  0.468038D+00  0.107453D+01 -0.372242D-02
      3   0.258313D+01 -0.283879D+01 -0.769709D+00 -0.372242D-02  0.110734D+01
                76            77            78            79            80 
      1  -0.197649D+01  0.773793D+00  0.653164D-01 -0.100417D+01 -0.673150D-01
      2   0.773793D+00 -0.316937D+00 -0.248044D+00 -0.673150D-01 -0.438660D+00
      3   0.653164D-01 -0.248044D+00 -0.999201D-02  0.122671D+01  0.400188D+00
                81            82            83            84            85 
      1   0.122671D+01 -0.562382D+01 -0.930178D+00 -0.466082D-01  0.866516D+01
      2   0.400188D+00 -0.930178D+00  0.382755D+01  0.752964D+00  0.342367D+00
      3  -0.758186D-01 -0.466082D-01  0.752964D+00  0.187880D+01 -0.684528D-01
                86            87            88            89            90 
      1   0.342367D+00 -0.684528D-01  0.167968D+01  0.955616D-01  0.173194D+01
      2   0.193219D+01 -0.592507D+00  0.955616D-01 -0.993316D+00  0.360954D+01
      3  -0.592507D+00  0.213195D+01  0.173194D+01  0.360954D+01  0.390082D+00
                91            92            93            94            95 
      1   0.431673D+01  0.878290D-01 -0.289519D+00  0.601238D+01 -0.192527D+00
      2   0.878290D-01 -0.306327D+01  0.283748D+00 -0.192527D+00  0.143900D+01
      3  -0.289519D+00  0.283748D+00 -0.108683D+01  0.120748D+00 -0.613274D+00
                96            97            98            99           100 
      1   0.120748D+00  0.420471D-01  0.622978D+00 -0.227950D+01 -0.654029D+01
      2  -0.613274D+00  0.622978D+00 -0.537044D+00  0.404057D+01  0.237528D-01
      3   0.259440D+01 -0.227950D+01  0.404057D+01  0.178227D+01 -0.486659D+00
               101           102           103           104           105 
      1   0.237528D-01 -0.486659D+00  0.480638D+00  0.854732D+00  0.615063D+00
      2  -0.353849D+01 -0.232705D-01  0.854732D+00 -0.473162D+00 -0.306447D+00
      3  -0.232705D-01 -0.319768D+01  0.615063D+00 -0.306447D+00 -0.701094D-01
               106           107           108           109           110 
      1  -0.432478D+00  0.730121D+00 -0.559880D+01  0.281335D+01 -0.427054D+00
      2   0.730121D+00  0.296739D+00  0.892727D-01 -0.427054D+00 -0.348574D+01
      3  -0.559880D+01  0.892727D-01  0.108966D+01 -0.536494D+00 -0.719412D+00
               111           112           113           114           115 
      1  -0.536494D+00 -0.622575D+01  0.331473D+00  0.611478D+00 -0.147498D+01
      2  -0.719412D+00  0.331473D+00 -0.601857D+00  0.714567D+00  0.214396D-01
      3  -0.173118D+01  0.611478D+00  0.714567D+00 -0.253235D+01 -0.295954D+01
               116           117           118           119           120 
      1   0.214396D-01 -0.295954D+01 -0.443205D+01  0.208471D+01  0.258016D+00
      2   0.107028D+01 -0.374621D+01  0.208471D+01  0.358185D+01 -0.128020D+00
      3  -0.374621D+01 -0.478072D+00  0.258016D+00 -0.128020D+00  0.147051D+01
               121           122           123           124           125 
      1  -0.722179D+01  0.800045D+00 -0.180999D+00 -0.123881D+00 -0.444837D+00
      2   0.800045D+00 -0.182865D+01  0.526663D+00 -0.444837D+00  0.677091D-01
      3  -0.180999D+00  0.526663D+00 -0.190642D+01  0.906669D+00 -0.372231D+01
               126           127           128           129           130 
      1   0.906669D+00  0.383883D+01  0.219114D+01 -0.939900D-02  0.208655D+01
      2  -0.372231D+01  0.219114D+01  0.234770D+01  0.151359D-01  0.274946D+01
      3  -0.169771D+01 -0.939900D-02  0.151359D-01  0.899860D-01  0.147492D+00
               131           132           133           134           135 
      1   0.274946D+01  0.147492D+00 -0.301999D+00  0.102941D+00 -0.932255D-01
      2   0.652629D+01  0.345771D+00  0.102941D+00  0.467482D+00  0.656861D-03
      3   0.345771D+00  0.583780D+00 -0.932255D-01  0.656861D-03  0.212029D-01
               136           137           138           139           140 
      1  -0.281833D+01  0.292845D+01  0.526339D+00  0.265490D+01 -0.402549D+01
      2   0.292845D+01 -0.314124D+01 -0.557858D+00 -0.402549D+01  0.857000D+01
      3   0.526339D+00 -0.557858D+00 -0.478516D+00 -0.593078D+00  0.120568D+01
               141           142           143           144           145 
      1  -0.593078D+00  0.598093D+00 -0.764431D+00 -0.126937D+00 -0.129737D+02
      2   0.120568D+01 -0.764431D+00  0.134505D+01  0.112212D+00  0.409674D+00
      3   0.918697D+00 -0.126937D+00  0.112212D+00  0.110015D+00  0.113600D+01
               146           147           148           149           150 
      1   0.409674D+00  0.113600D+01  0.455925D+00 -0.156376D+01 -0.232050D+00
      2  -0.733991D+00 -0.222924D-01 -0.156376D+01  0.131194D+00  0.137981D+00
      3  -0.222924D-01 -0.930961D+00 -0.232050D+00  0.137981D+00  0.778527D-01
               151           152           153           154           155 
      1   0.136999D+01 -0.226871D+00  0.456290D-01 -0.393054D+01 -0.352961D+01
      2  -0.226871D+00  0.782364D-01  0.268790D-01 -0.352961D+01 -0.360369D+01
      3   0.456290D-01  0.268790D-01  0.105479D+00 -0.107112D+00 -0.764243D-01
               156           157           158           159           160 
      1  -0.107112D+00 -0.335019D+01 -0.448942D+01 -0.330735D+00 -0.939900D-01
      2  -0.764243D-01 -0.448942D+01 -0.770384D+01 -0.453116D+00 -0.160370D+00
      3  -0.462842D+00 -0.330735D+00 -0.453116D+00 -0.736878D+00  0.402039D-01
               161           162           163           164           165 
      1  -0.160370D+00  0.402039D-01  0.194320D+01 -0.179625D+01 -0.296975D+00
      2  -0.541543D+00 -0.403307D-01 -0.179625D+01  0.234857D+01  0.502468D+00
      3  -0.403307D-01 -0.714560D-01 -0.296975D+00  0.502468D+00  0.375370D+00
               166           167           168           169           170 
      1  -0.171409D+01  0.234092D+01  0.389127D+00 -0.397343D+00  0.516931D+00
      2   0.234092D+01 -0.767826D+01 -0.114677D+01  0.516931D+00 -0.106979D+01
      3   0.389127D+00 -0.114677D+01 -0.949518D+00  0.510108D-01 -0.238117D+00
               171 
      1   0.510108D-01
      2  -0.238117D+00
      3  -0.210007D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.150075D+01  0.103416D+01  0.325222D+01 -0.246017D+01  0.649740D+00
      2   0.952614D+00 -0.295338D+01  0.100186D+02 -0.209459D-01  0.328225D+01
      3   0.189045D+01 -0.101684D+02  0.188967D+01 -0.124259D+01  0.100127D+02
                 6             7             8             9            10 
      1  -0.659167D+01 -0.174320D+00  0.125800D+01 -0.765354D+01 -0.360243D+00
      2  -0.199864D+01  0.362141D+01 -0.129903D+01 -0.113002D+02  0.195737D+01
      3  -0.247126D+01  0.174989D+01 -0.181001D+01  0.101541D+01 -0.200705D+01
                11            12            13            14            15 
      1   0.456513D+00 -0.951631D-01  0.315772D+01  0.186147D+01 -0.260791D+00
      2   0.362641D+00 -0.214473D+01 -0.729856D+00 -0.415202D+01  0.360476D+01
      3   0.286933D+01  0.101379D+00  0.152428D+02  0.866238D+00  0.232955D+01
                16            17            18            19            20 
      1   0.354034D+00  0.401710D+01 -0.170210D+01  0.410740D+00 -0.416494D+00
      2  -0.117275D+02  0.483540D+01  0.104037D+02  0.300559D+01  0.298782D+00
      3   0.533418D+00  0.390950D+01 -0.715752D+01  0.123259D+01  0.100787D+01
                21            22            23            24            25 
      1  -0.224497D+01 -0.208187D+00  0.135174D+01  0.224916D+00  0.522077D+00
      2  -0.364286D+01 -0.114392D+01  0.101496D+01  0.861109D+00 -0.259378D+01
      3  -0.103388D+01  0.985713D+00  0.585940D+00 -0.769856D+00 -0.372554D+00
                26            27            28            29            30 
      1   0.889027D+00  0.105574D+02 -0.174164D+00 -0.144380D+01  0.128961D+00
      2  -0.264456D+01  0.158941D+02 -0.212687D+01  0.568253D+00  0.312170D+01
      3  -0.276639D+01  0.337133D+01  0.540867D+00 -0.353896D+01 -0.342229D+00
                31            32            33            34            35 
      1  -0.174808D+01  0.100634D+01 -0.749722D+00  0.763977D-01  0.239359D+01
      2   0.211976D+00 -0.675222D+00 -0.325602D+01  0.917707D+00 -0.302065D+01
      3  -0.211445D+01  0.202011D+01  0.231484D+01 -0.293167D+00  0.280076D+01
                36            37            38            39            40 
      1  -0.327411D+00 -0.209010D+01 -0.460819D+00 -0.269749D+01 -0.971248D+00
      2  -0.127358D+02  0.318626D+01  0.231075D+00  0.648015D+01  0.767397D+00
      3   0.399745D+01 -0.181288D+02 -0.918870D+01  0.239864D+01 -0.195210D+01
                41            42            43            44            45 
      1  -0.423415D+01  0.331759D+01  0.863005D+00  0.726256D+01  0.416710D+01
      2   0.542802D+01 -0.106258D+02 -0.110750D+01 -0.109578D+02 -0.967031D+01
      3   0.617599D+01 -0.583757D+01  0.213923D+01 -0.524683D+01  0.140726D+02
                46            47            48            49            50 
      1   0.688441D+00  0.132727D+01  0.133763D+01  0.306912D+01 -0.184948D+01
      2  -0.186264D+01 -0.682471D+00 -0.403441D+00 -0.598287D+00 -0.493633D+00
      3   0.701024D+01  0.594871D+01  0.129527D+00  0.163038D+02  0.920445D+00
                51            52            53            54            55 
      1   0.200096D+01  0.589020D+00  0.110296D+02  0.132822D+01 -0.584116D+00
      2  -0.653627D+00 -0.138894D+02 -0.823405D+00  0.117451D+00  0.274169D+01
      3  -0.361188D+00 -0.198308D+01 -0.272505D+01  0.514231D+00 -0.902732D+00
                56            57            58            59            60 
      1  -0.191999D+00  0.870462D+00 -0.158296D+00 -0.122144D+01 -0.412872D+01
      2  -0.208887D+00 -0.125794D+01 -0.551009D+00  0.284556D+01  0.501118D+01
      3   0.157980D+01  0.148416D+01  0.224700D+01 -0.487239D+01 -0.313992D+01
                61            62            63            64            65 
      1  -0.660916D+00 -0.644875D+00 -0.876081D+01  0.270450D+00 -0.202146D-02
      2  -0.176107D+01  0.600983D+01  0.159652D+02 -0.230823D+01  0.656154D+00
      3   0.164718D+01 -0.563235D+01 -0.716413D+01 -0.434470D+01  0.254611D+01
                66            67            68            69            70 
      1   0.132841D+01  0.151501D+00  0.149151D+01 -0.498841D+01  0.408287D+00
      2  -0.130820D+01  0.899693D+00 -0.606510D+01  0.640201D+01 -0.205074D+01
      3  -0.201982D+01  0.457776D+01 -0.143884D+02  0.741353D+01 -0.196906D+01
                71            72            73            74            75 
      1  -0.121293D+01  0.378014D+01  0.278356D+00 -0.336918D+00 -0.130186D+01
      2   0.583990D+01 -0.667982D+01 -0.524958D+00  0.279672D+00  0.585730D+01
      3   0.861147D+01 -0.770090D+01  0.135030D+02 -0.605754D+01 -0.107413D+01
                76            77            78            79            80 
      1  -0.189225D+00  0.337937D+00 -0.505086D+00 -0.103811D+01  0.502953D+00
      2   0.207747D-01 -0.510843D+00 -0.277882D+00  0.215332D+01  0.107679D+01
      3  -0.273680D+01  0.210132D+01  0.926126D+00 -0.116576D+01  0.140518D+01
                81            82            83            84            85 
      1  -0.166635D+00 -0.155217D+01  0.374010D+00 -0.348324D+01  0.956365D+00
      2   0.108226D+00 -0.261321D+01 -0.552243D-01 -0.195784D+01  0.259930D+01
      3  -0.409634D+00 -0.677736D+01 -0.339925D-01  0.138412D+01  0.570866D+01
                86            87            88            89            90 
      1   0.371330D+00 -0.265781D+01 -0.594779D+01  0.228414D+01  0.683025D+00
      2  -0.410427D+00 -0.484910D+00 -0.134295D+02  0.983630D-01  0.661211D+00
      3   0.483776D+01 -0.663542D+00  0.181009D+01  0.273007D-01  0.484903D+01
                91            92            93            94            95 
      1   0.194058D+01 -0.817556D+00  0.223284D+01  0.428489D-01  0.223305D+00
      2   0.443500D+00  0.416547D+00  0.419847D+00  0.812728D+00  0.208998D+01
      3   0.349025D+01 -0.114069D+02 -0.128161D+01  0.576748D+01  0.213823D+01
                96            97            98            99           100 
      1  -0.355733D+01  0.567695D+01  0.153600D+01 -0.104443D+01 -0.681733D-01
      2  -0.694102D+01 -0.728331D+01 -0.104845D+02 -0.226985D+01  0.191649D-01
      3  -0.140175D+01 -0.185729D+00 -0.827353D+00  0.555217D+01 -0.666748D+00
               101           102           103           104           105 
      1   0.757880D+00  0.695651D+00  0.297625D+00 -0.203006D+01  0.322332D+01
      2  -0.200214D+00  0.906764D+01 -0.236057D+01  0.226739D+00  0.185426D+00
      3  -0.760312D+01  0.122613D+00  0.116499D+02 -0.340030D+01 -0.171978D+01
               106           107           108           109           110 
      1   0.109100D+01  0.116234D+02  0.152237D+01 -0.120352D+01 -0.280451D+00
      2   0.885506D+01 -0.453414D+00 -0.226645D+01  0.101879D+01  0.196339D+01
      3   0.209552D+01 -0.648477D+00 -0.847681D+00  0.105946D+01 -0.139167D+02
               111           112           113           114           115 
      1  -0.313517D+01  0.117755D+01  0.303276D+00 -0.271735D+01 -0.650048D+01
      2   0.194549D+01 -0.579738D+00 -0.195070D+01  0.668553D+01 -0.490895D+01
      3  -0.160019D+01  0.309312D+01  0.185294D+01  0.126391D+01  0.240351D+00
               116           117           118           119           120 
      1   0.285636D+01  0.104450D+01  0.453347D+00 -0.416590D+00  0.271204D+01
      2   0.104716D+02  0.230892D+01 -0.297108D+01  0.110292D+01 -0.177296D+01
      3   0.300715D+01 -0.436279D+01 -0.899851D+00 -0.110729D+01 -0.154958D+01
               121           122           123           124           125 
      1  -0.971727D+00 -0.369042D+00 -0.312685D+01  0.502504D+01  0.190630D+01
      2   0.244748D+00  0.630605D+00  0.161752D+01 -0.135455D+02  0.113075D+01
      3   0.177394D+01 -0.858905D+01 -0.203377D-01 -0.259351D+01  0.349128D+00
               126           127           128           129           130 
      1  -0.127294D+01  0.339907D+00  0.267998D+00 -0.128759D+01 -0.267699D+00
      2   0.180481D+01 -0.630184D+00 -0.196928D+00  0.316103D+00 -0.908856D-01
      3  -0.570864D+01  0.120402D+02  0.430685D+01 -0.101241D+00  0.740079D+01
               131           132           133           134           135 
      1  -0.305690D+00 -0.322989D+01  0.495955D+00  0.189666D+01 -0.726603D-01
      2  -0.418384D+00  0.936445D+00 -0.173956D+01 -0.413360D+00  0.705867D-02
      3   0.672917D+01  0.457357D+00 -0.667002D+00  0.178992D+00 -0.539084D-01
               136           137           138           139           140 
      1  -0.253893D+00  0.159408D+00  0.189971D+01  0.134053D+00  0.159502D+00
      2  -0.504800D+00  0.771036D+00  0.198434D+01  0.536251D+00 -0.199281D+01
      3   0.850134D+00 -0.330502D+01 -0.448593D+00 -0.177993D+01  0.130529D+02
               141           142           143           144           145 
      1  -0.410011D+01 -0.586740D+00  0.195779D+01 -0.364062D+00 -0.128847D+00
      2  -0.305802D+01 -0.625072D+00  0.530314D+00 -0.336938D+00 -0.174424D+01
      3   0.170651D+01 -0.393109D+00  0.165057D+01 -0.559840D-01 -0.424441D+00
               146           147           148           149           150 
      1  -0.346210D+00  0.261772D+00 -0.174243D+00 -0.741143D-02 -0.405432D+00
      2  -0.270998D-01  0.623258D+01  0.826753D+00 -0.279145D+00 -0.387793D+00
      3  -0.525606D+01  0.115429D+00 -0.384416D+01  0.350422D+00  0.337049D+00
               151           152           153           154           155 
      1  -0.555487D-01  0.535846D+00 -0.253508D-02  0.237668D+00  0.451336D+00
      2  -0.302803D+01 -0.357495D-01 -0.526872D+00 -0.433955D+00 -0.375412D+00
      3  -0.818099D+00  0.523884D+00  0.180350D+00 -0.115542D+01 -0.458514D+01
               156           157           158           159           160 
      1  -0.209095D+01 -0.115852D+00  0.165266D+00 -0.365524D+01  0.825359D+00
      2   0.234416D+01  0.188262D+00  0.369044D+00  0.301022D+01 -0.941272D+00
      3   0.288515D-02 -0.294236D+01 -0.122102D+02 -0.479317D+00 -0.386743D+00
               161           162           163           164           165 
      1   0.167074D+01 -0.158603D+00  0.294986D+00 -0.115721D+00  0.161672D+01
      2  -0.748600D+00  0.171853D+00  0.979970D+00 -0.582317D+00  0.276876D+00
      3  -0.126096D+01 -0.852278D-01 -0.698916D+01  0.395186D+01  0.457860D+00
               166           167           168           169           170 
      1  -0.306842D+00  0.727319D+00 -0.366921D+01 -0.284097D+00  0.219507D+01
      2  -0.103268D+01  0.106113D+01 -0.630450D+00 -0.176914D+01  0.206661D+00
      3   0.671420D+01 -0.750247D+01 -0.129967D+01  0.612138D+00 -0.154651D+01
               171 
      1  -0.192035D+00
      2  -0.240988D+00
      3  -0.611447D-02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.181311D+02 -0.250778D+01 -0.108064D+01 -0.572400D+01 -0.209704D+01
      2  -0.787787D+01 -0.308785D+01 -0.255535D+01 -0.107554D+01  0.146329D+02
      3  -0.102533D+02  0.559563D+01  0.363599D+01  0.679954D+01 -0.125359D+02
      4  -0.168248D+02  0.214799D+02 -0.360728D+01  0.274052D+02 -0.268342D+02
      5   0.695853D+01 -0.415911D+01  0.145096D+02 -0.571347D+01  0.721770D+01
      6  -0.304218D+01  0.315533D+01 -0.546771D+01  0.495607D+01 -0.719657D+01
                 6             7             8             9            10 
      1   0.286127D+01  0.546165D+00 -0.311103D+00  0.108584D+02  0.997841D+01
      2  -0.138490D+00  0.104954D+01 -0.262277D+01  0.242173D+01 -0.642314D+01
      3  -0.272278D+01 -0.159570D+01  0.293387D+01 -0.132801D+02 -0.355527D+01
      4   0.756381D+01 -0.585904D+01  0.486566D+01 -0.955652D+01  0.438222D+01
      5  -0.458849D+01  0.130325D+02 -0.697699D+01 -0.158667D+02  0.361631D+01
      6   0.942985D+01 -0.561701D+01  0.588235D+01  0.695696D+01 -0.191952D+01
                11            12            13            14            15 
      1  -0.222431D+01  0.930402D+00 -0.618319D+01 -0.850823D+01  0.803038D+00
      2  -0.104861D+01 -0.183771D+01 -0.769147D+00 -0.152036D+01  0.151544D+01
      3   0.327292D+01  0.907305D+00  0.695233D+01  0.100286D+02 -0.231847D+01
      4  -0.212635D+02  0.687691D+00 -0.322602D+02 -0.141032D+01 -0.526170D+01
      5   0.719087D+00 -0.110536D+02  0.352504D+01 -0.446867D+01  0.895817D+01
      6  -0.220264D+01  0.104682D+01 -0.255184D+01  0.200711D+01 -0.612531D+01
                16            17            18            19            20 
      1  -0.935199D+01  0.168143D+01 -0.660706D+00 -0.954158D+00 -0.198277D+01
      2  -0.646848D+01  0.603589D+01  0.106452D+02 -0.433815D+00  0.117262D+01
      3   0.158205D+02 -0.771732D+01 -0.998446D+01  0.138797D+01  0.810146D+00
      4   0.436073D+01 -0.901032D+01  0.158014D+02  0.128324D+00 -0.178085D+01
      5  -0.165434D+02  0.145587D+02  0.266069D+02  0.138005D+01  0.366970D+00
      6   0.828354D+01  0.128351D+00 -0.560038D+01 -0.303448D+00 -0.139819D+01
                21            22            23            24            25 
      1   0.588116D+01 -0.774032D-01 -0.262432D+01  0.782450D-01  0.583724D+01
      2  -0.278662D+00 -0.743152D+00  0.197008D+01 -0.263494D+01 -0.307913D+01
      3  -0.560250D+01  0.820555D+00  0.654248D+00  0.255669D+01 -0.275811D+01
      4  -0.779688D+00  0.107832D+01 -0.119682D+01  0.198198D+01 -0.488546D+01
      5  -0.385830D+01  0.183317D+00  0.160577D+01  0.150586D+01  0.549075D+01
      6   0.302958D+01  0.373007D+00 -0.147859D+01  0.279812D+01 -0.967642D+00
                26            27            28            29            30 
      1   0.236414D+01 -0.141668D+02  0.537346D+01 -0.813896D+00 -0.417769D+01
      2  -0.125236D+01 -0.875343D+01 -0.645355D+01  0.123210D+01  0.480810D+01
      3  -0.111178D+01  0.229202D+02  0.108009D+01 -0.418208D+00 -0.630406D+00
      4   0.622137D+01 -0.231623D+01 -0.293390D+01  0.707774D+01  0.252493D+01
      5  -0.415873D+01  0.247297D+02 -0.997355D+01  0.248107D+01  0.125107D+02
      6   0.464150D+01 -0.139407D+02  0.259380D+01 -0.361830D+00 -0.141836D+01
                31            32            33            34            35 
      1  -0.371563D+00 -0.232254D+01 -0.265670D+01 -0.336009D+01 -0.328171D+01
      2   0.172691D+01 -0.247846D+00 -0.738616D+00  0.969021D+01 -0.207527D+01
      3  -0.135535D+01  0.257039D+01  0.339531D+01 -0.633012D+01  0.535698D+01
      4   0.997227D+01 -0.545293D+01 -0.555121D+01  0.384007D+01 -0.697460D+01
      5   0.347262D+01 -0.500112D+01 -0.770365D+01  0.188696D+02 -0.825019D+01
      6  -0.195450D+01  0.403549D+01  0.871711D+01 -0.479166D+01  0.578357D+01
                36            37            38            39            40 
      1  -0.100595D+02 -0.530532D+02  0.151953D+01  0.680133D+01  0.157790D+02
      2  -0.157323D+02  0.335374D+02  0.515669D+01 -0.457629D+01 -0.315812D+01
      3   0.257918D+02  0.195158D+02 -0.667621D+01 -0.222504D+01 -0.126209D+02
      4  -0.946824D+01  0.432263D+01  0.194368D+02 -0.251903D-01  0.215469D+02
      5  -0.320658D+02  0.762008D+01 -0.125100D+01  0.924643D+01 -0.129903D+01
      6   0.991839D+01  0.311723D+01 -0.105360D+01  0.602776D+01 -0.315953D+00
                41            42            43            44            45 
      1   0.176029D+02 -0.508069D+01  0.751512D+01 -0.337205D+01  0.167165D+02
      2  -0.676423D+01  0.668599D+01 -0.210340D+01  0.629706D+01 -0.118358D+02
      3  -0.108386D+02 -0.160530D+01 -0.541172D+01 -0.292501D+01 -0.488071D+01
      4   0.483302D+01  0.791063D+01  0.247422D+01  0.897503D+01 -0.160837D+02
      5   0.807670D+01 -0.183472D+02  0.308023D+01 -0.184281D+02 -0.189903D+02
      6   0.835867D+01 -0.114281D+02  0.420826D+00 -0.134173D+02 -0.676418D+01
                46            47            48            49            50 
      1  -0.218650D+02 -0.461598D+00 -0.820693D+00  0.350006D+01 -0.515501D+01
      2   0.764586D+01  0.568003D+00 -0.607864D+00  0.510889D+00  0.125290D+02
      3   0.142191D+02 -0.106405D+00  0.142856D+01 -0.401094D+01 -0.737395D+01
      4  -0.930435D+01  0.593477D+01 -0.145505D+00 -0.106651D+02  0.254787D+01
      5  -0.243356D+01 -0.773290D-01  0.243586D+01 -0.195095D+01  0.711345D+00
      6  -0.597425D+00 -0.534601D+00 -0.141671D+01  0.146236D+01  0.199711D+01
                51            52            53            54            55 
      1  -0.817883D-02  0.485949D+01  0.186014D+00 -0.970869D+01  0.324969D+01
      2   0.245790D+01 -0.174001D+01  0.641519D+00 -0.374666D+01 -0.253275D+01
      3  -0.244972D+01 -0.311948D+01 -0.827533D+00  0.134553D+02 -0.716940D+00
      4   0.108873D+01 -0.109088D+01  0.245282D+01 -0.149047D+01  0.238764D+00
      5  -0.174300D+01  0.451554D+01 -0.162737D+01  0.243839D-01  0.201895D+01
      6  -0.439048D+01  0.253338D+00  0.467270D+01 -0.132537D+01  0.226968D+01
                56            57            58            59            60 
      1   0.203396D+01  0.402671D+01  0.166772D+01 -0.673501D+01 -0.422068D+01
      2  -0.199972D+01 -0.108502D+01 -0.259267D+00  0.702085D+01  0.415550D+01
      3  -0.342322D-01 -0.294169D+01 -0.140845D+01 -0.285840D+00  0.651823D-01
      4  -0.149372D+01  0.156189D+01  0.311605D+01  0.817229D+01  0.496616D+01
      5   0.390662D+00 -0.454577D+00  0.949454D+00  0.513213D+01  0.904762D+01
      6  -0.634343D+00 -0.171457D+01  0.633889D+00  0.547693D+01  0.105904D+02
                61            62            63            64            65 
      1   0.796558D+01 -0.407365D+01 -0.123637D+02 -0.368630D+00  0.479384D+01
      2  -0.426780D+01  0.433273D+01  0.214031D-01  0.914982D+00 -0.440158D+01
      3  -0.369778D+01 -0.259076D+00  0.123423D+02 -0.546352D+00 -0.392266D+00
      4   0.785003D+01  0.106114D+02  0.100547D+02 -0.917010D+00 -0.118482D+01
      5   0.678523D+01  0.115725D+02  0.291824D+02 -0.183347D+01  0.366211D+00
      6   0.181091D+01  0.110460D+02  0.185831D+02 -0.240254D+01  0.223489D+01
                66            67            68            69            70 
      1  -0.482210D+01  0.538560D+01 -0.155915D+02  0.868532D+01 -0.601946D+01
      2   0.251917D+01 -0.257613D+01  0.218650D+02 -0.962724D+01  0.257930D+01
      3   0.230293D+01 -0.280947D+01 -0.627351D+01  0.941920D+00  0.344016D+01
      4  -0.753106D+00  0.687040D+01  0.228179D+02 -0.110012D+02 -0.625105D+01
      5  -0.105436D+01 -0.157043D+01 -0.114716D+02  0.125222D+02  0.353781D+01
      6  -0.293820D+01 -0.871896D+00 -0.133248D+02  0.127808D+02  0.760541D+00
                71            72            73            74            75 
      1   0.865944D+01 -0.115345D+02  0.855646D+02  0.984671D+00 -0.520126D+01
      2  -0.937890D+01  0.538904D+01 -0.461327D+02  0.172508D+01  0.345801D+01
      3   0.719459D+00  0.614548D+01 -0.394320D+02 -0.270975D+01  0.174325D+01
      4  -0.144815D+02  0.108423D+02  0.177562D+02  0.110708D+02 -0.105822D+01
      5   0.121170D+02 -0.122569D+02 -0.771110D+01 -0.146076D+00  0.110545D+02
      6   0.130860D+02 -0.125984D+02 -0.188439D+01 -0.314699D+00  0.257546D+01
                76            77            78            79            80 
      1  -0.131001D+02  0.505940D+01  0.105842D+01 -0.621941D+01  0.418444D+00
      2   0.893895D+01 -0.218156D+01 -0.121000D+01  0.411757D+01 -0.101619D+01
      3   0.416115D+01 -0.287784D+01  0.151587D+00  0.210184D+01  0.597749D+00
      4   0.700460D+01 -0.160288D+01 -0.135588D+01 -0.156147D+01 -0.237521D+01
      5   0.782952D+00 -0.158005D+01 -0.938071D+00  0.116877D+02  0.183886D+01
      6  -0.179674D+00 -0.541332D+00  0.157272D+01  0.168804D+01  0.245801D+01
                81            82            83            84            85 
      1   0.563462D+01  0.549963D+01 -0.173981D+02 -0.309579D+01  0.412473D-01
      2  -0.414492D+01 -0.508224D+01  0.125459D+02  0.111117D+01 -0.108164D+02
      3  -0.148970D+01 -0.417391D+00  0.485222D+01  0.198462D+01  0.107752D+02
      4   0.271749D+01 -0.795513D+01 -0.141216D+02  0.658427D+00  0.608308D+01
      5  -0.153876D+01 -0.145829D+01  0.105791D+01 -0.341820D+01  0.592321D+00
      6   0.226077D+00  0.290098D+01  0.117530D+01  0.736444D+01 -0.427047D+01
                86            87            88            89            90 
      1   0.168031D+01  0.147587D+01 -0.873942D+00  0.423391D+01 -0.151727D+02
      2  -0.674384D+01 -0.157165D+01 -0.784419D+00 -0.510355D+01  0.260755D+01
      3   0.506353D+01  0.957786D-01  0.165836D+01  0.869636D+00  0.125652D+02
      4  -0.132353D+02 -0.130671D+01 -0.296557D+00  0.234398D+01 -0.313631D+01
      5  -0.129370D+01  0.729086D+00  0.283014D+01 -0.371676D+01  0.175153D+01
      6  -0.235723D+01  0.705779D+01  0.397338D+01  0.148584D+02 -0.119152D+01
                91            92            93            94            95 
      1   0.127805D+01  0.221969D+02  0.514444D+00 -0.262425D+02  0.950579D+01
      2  -0.201017D+01 -0.143274D+02 -0.342416D+00  0.253691D+02 -0.145313D+02
      3   0.732126D+00 -0.786947D+01 -0.172028D+00  0.873375D+00  0.502547D+01
      4   0.136500D+02 -0.383590D+01 -0.467485D+01  0.940729D+01  0.435683D+01
      5   0.296456D+01 -0.494181D+01 -0.280412D+00 -0.729820D+00  0.396596D+01
      6  -0.473326D+01  0.315544D+01 -0.553129D+01  0.311439D+01 -0.645729D+01
                96            97            98            99           100 
      1   0.110729D+01 -0.110547D+01 -0.325437D+01 -0.481117D+01 -0.704527D+01
      2  -0.470416D+01  0.410549D+01 -0.261755D+01 -0.447158D+01  0.305639D+01
      3   0.359686D+01 -0.300002D+01  0.587192D+01  0.928275D+01  0.398888D+01
      4   0.388315D+01 -0.490258D+01  0.705173D+01 -0.166032D+02  0.826089D+00
      5  -0.145799D+02  0.146769D+02 -0.163903D+02 -0.503285D+01  0.802148D+01
      6   0.776313D+01 -0.680599D+01  0.160609D+02  0.293624D+01  0.664588D-01
               101           102           103           104           105 
      1   0.169400D+01  0.608417D+01 -0.288649D+01 -0.210634D+02 -0.368572D+01
      2  -0.117658D+01 -0.322980D+01  0.227912D+01  0.192009D+02  0.602513D+01
      3  -0.517417D+00 -0.285437D+01  0.607367D+00  0.186254D+01 -0.233940D+01
      4   0.243954D+02  0.188790D+00 -0.235853D+02  0.576474D+01  0.328326D+01
      5   0.149992D+00  0.202736D+02 -0.709730D+01  0.260972D+01  0.193417D+00
      6  -0.549425D+00 -0.141386D+01  0.301119D+01  0.227719D+01 -0.710469D+01
               106           107           108           109           110 
      1   0.896053D+01 -0.431063D+01  0.150329D+02  0.151411D+01 -0.235753D+02
      2  -0.319961D+01  0.349984D+01 -0.194428D+02 -0.315796D+01  0.137273D+02
      3  -0.576092D+01  0.810793D+00  0.440993D+01  0.164385D+01  0.984802D+01
      4  -0.754320D+01 -0.111320D+01 -0.762544D+00 -0.176438D+02  0.316210D+01
      5   0.372151D+02 -0.171013D+00 -0.492832D+01  0.135820D-01  0.475127D+01
      6  -0.918832D+00  0.535634D+01 -0.263719D+01  0.323682D+01  0.255273D+01
               111           112           113           114           115 
      1  -0.335541D+01  0.269520D+02  0.712824D+01  0.906283D+00  0.576365D+01
      2  -0.238882D+00 -0.266611D+02 -0.122545D+02 -0.525393D+00 -0.592684D+01
      3   0.359430D+01 -0.290959D+00  0.512624D+01 -0.380891D+00  0.163188D+00
      4   0.452517D+01  0.645761D+01 -0.116206D+02 -0.551089D+01  0.243786D+01
      5   0.421241D+01 -0.159338D+01 -0.501859D+01  0.143231D+02  0.190251D+02
      6   0.700714D+01 -0.448294D+01 -0.327351D+01  0.701182D+01  0.800382D+01
               116           117           118           119           120 
      1   0.525388D+01 -0.771312D-01  0.812447D+01  0.141042D+02 -0.292942D+00
      2  -0.614856D+01 -0.701599D+01 -0.642411D+01 -0.976305D+01  0.152722D+01
      3   0.894680D+00  0.709312D+01 -0.170037D+01 -0.434111D+01 -0.123428D+01
      4  -0.390140D+01  0.158202D+02  0.109422D+02 -0.185564D+02 -0.296710D+01
      5   0.163826D+02  0.501343D+01 -0.235750D+00 -0.335202D+01 -0.478510D+01
      6   0.146801D+02 -0.104831D+01 -0.261333D+01  0.171802D+01 -0.567944D+01
               121           122           123           124           125 
      1  -0.120157D+01  0.557694D+01  0.351373D+01 -0.155025D+01 -0.189553D-01
      2   0.851241D+01 -0.107332D+02 -0.425810D+01  0.291486D+01 -0.407742D+01
      3  -0.731084D+01  0.515625D+01  0.744362D+00 -0.136461D+01  0.409638D+01
      4   0.104233D+02  0.133266D+02  0.138153D+01  0.164838D+01  0.323203D+01
      5   0.134741D+01  0.121832D+01  0.854602D+00 -0.272571D+00  0.540985D+01
      6   0.299383D+01 -0.611118D+01  0.599305D+01 -0.387479D+01  0.144642D+02
               126           127           128           129           130 
      1  -0.167052D+02 -0.150148D+00 -0.636245D+01  0.138707D-01 -0.821166D+01
      2   0.212051D+01  0.380836D+01  0.950741D+01  0.194425D+00  0.116702D+02
      3   0.145847D+02 -0.365822D+01 -0.314495D+01 -0.208295D+00 -0.345854D+01
      4   0.554459D+01  0.956531D+01  0.744613D+01  0.264016D+00  0.702233D+01
      5   0.430917D+01  0.193116D+00  0.473578D+00  0.833235D+00  0.589596D+00
      6   0.423392D+01 -0.418362D+00 -0.236041D+00  0.120420D+01  0.647817D+00
               131           132           133           134           135 
      1  -0.231854D+02 -0.123870D+01 -0.107196D+01 -0.170088D+01 -0.454010D+00
      2   0.323438D+02  0.117847D+01  0.104258D+01  0.215364D+01  0.100488D+01
      3  -0.915841D+01  0.602355D-01  0.293879D-01 -0.452759D+00 -0.550872D+00
      4   0.623428D+01  0.264534D+00  0.135436D+00 -0.313901D+00  0.117451D+01
      5   0.857974D+00  0.939850D+00  0.516036D+00  0.689966D+00  0.985807D-02
      6   0.143396D+01  0.488947D+01  0.375695D+00  0.906442D+00  0.524883D+00
               136           137           138           139           140 
      1   0.829003D+01 -0.626837D+01 -0.828326D+00 -0.130461D+01 -0.100522D+02
      2   0.244589D+01 -0.505194D+01 -0.202689D+00 -0.109678D+02  0.323448D+02
      3  -0.107359D+02  0.113203D+02  0.103101D+01  0.122724D+02 -0.222926D+02
      4  -0.223069D+02  0.258525D+02  0.406043D+01  0.278273D+02 -0.480560D+02
      5  -0.336078D+01  0.362276D+01  0.458404D+01  0.355022D+01 -0.559880D+01
      6   0.263611D+01 -0.314249D+01 -0.278514D+01 -0.364762D+01  0.771715D+01
               141           142           143           144           145 
      1  -0.153747D+01 -0.794868D+00 -0.566129D+00 -0.633077D+00  0.989428D+02
      2   0.304845D+01 -0.131279D+01  0.372867D+01  0.167953D+01 -0.568318D+02
      3  -0.151098D+01  0.210766D+01 -0.316254D+01 -0.104645D+01 -0.421110D+02
      4  -0.648646D+01  0.527321D+01 -0.787764D+01 -0.206239D+01 -0.587081D+01
      5  -0.492596D+01  0.151336D+01 -0.136435D+01 -0.122860D+01 -0.102015D+02
      6   0.723735D+01 -0.137278D+01  0.249502D+01  0.167966D+01 -0.107914D+01
               146           147           148           149           150 
      1  -0.276523D+01 -0.720628D+01 -0.273981D+01  0.904937D+01  0.988313D+00
      2   0.130314D+01  0.496728D+01  0.123131D+01 -0.446257D+01 -0.892735D+00
      3   0.146209D+01  0.223900D+01  0.150850D+01 -0.458680D+01 -0.955778D-01
      4   0.854798D+01  0.352344D+00  0.146169D+02 -0.147133D+01 -0.117371D+01
      5   0.181092D+00  0.103873D+02  0.185451D+01 -0.107478D+01 -0.618481D+00
      6  -0.542918D+00 -0.160053D+00 -0.841466D+00 -0.947682D-01  0.172422D+01
               151           152           153           154           155 
      1  -0.993970D+01  0.111739D+01  0.257014D+01  0.153522D+02  0.104979D+02
      2   0.585566D+01 -0.767736D+00 -0.141324D+01 -0.572800D+00  0.339115D+01
      3   0.408404D+01 -0.349652D+00 -0.115690D+01 -0.147794D+02 -0.138891D+02
      4   0.224971D+01 -0.975103D+00 -0.402723D+00  0.282239D+02  0.293360D+02
      5   0.176107D+01 -0.287541D+00 -0.176072D+01  0.182317D+01  0.136917D+01
      6  -0.144832D-01  0.627146D+00  0.332758D+00  0.346330D+00  0.181869D+00
               156           157           158           159           160 
      1   0.627618D+00  0.579925D+01 -0.143321D+01  0.191098D-01 -0.739307D+00
      2  -0.153758D+00  0.880855D+01  0.234265D+02  0.468194D+00  0.102718D+01
      3  -0.473860D+00 -0.146078D+02 -0.219933D+02 -0.487304D+00 -0.287873D+00
      4   0.923317D+00  0.319503D+02  0.469354D+02  0.274223D+01  0.106563D+01
      5   0.473893D+01  0.272019D+01  0.363568D+01  0.471620D+01  0.107365D+01
      6   0.269006D+01  0.152472D+01  0.227445D+01  0.588036D+01  0.907743D+00
               161           162           163           164           165 
      1  -0.103890D+01 -0.397160D+00 -0.493598D+01  0.834893D+01  0.222812D+01
      2   0.194810D+01  0.123317D+01  0.606093D+01 -0.103796D+02 -0.159029D+01
      3  -0.909200D+00 -0.836015D+00 -0.112495D+01  0.203071D+01 -0.637833D+00
      4   0.245991D+01  0.165452D+01 -0.491838D+01  0.640421D+01  0.100107D+01
      5   0.770831D+00  0.235377D+00 -0.231797D+00  0.734699D+00  0.126936D+01
      6   0.151926D+01  0.705155D+00  0.182618D+01 -0.320280D+01 -0.242013D+01
               166           167           168           169           170 
      1   0.801088D+01 -0.287734D+02 -0.489350D+01  0.146534D+01 -0.381102D+01
      2  -0.102067D+02  0.379822D+02  0.441575D+01 -0.161325D+01  0.459812D+01
      3   0.219586D+01 -0.920879D+01  0.477746D+00  0.147913D+00 -0.787094D+00
      4   0.542347D+01 -0.274785D+01 -0.248203D+00  0.105496D+01 -0.119108D+01
      5   0.386766D+00  0.476021D+00 -0.345360D+00  0.900065D+00 -0.608360D+00
      6  -0.243089D+01  0.799437D+01  0.675401D+01 -0.754050D+00  0.265853D+01
               171 
      1  -0.150254D+01
      2   0.199931D+01
      3  -0.496775D+00
      4  -0.172747D+01
      5  -0.102372D+01
      6   0.174605D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.564733D+00      0.143541D+01      0.478801D+01
   x         -0.294882D+00     -0.749515D+00     -0.250011D+01
   y          0.452113D+00      0.114916D+01      0.383318D+01
   z          0.166018D+00      0.421975D+00      0.140756D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.947761D+02      0.140444D+02      0.156265D+02
   aniso      0.500859D+02      0.742196D+01      0.825805D+01
   xx         0.120305D+03      0.178273D+02      0.198356D+02
   yx         0.144257D+01      0.213768D+00      0.237848D+00
   yy         0.100120D+03      0.148362D+02      0.165075D+02
   zx        -0.312062D+01     -0.462429D+00     -0.514521D+00
   zy         0.277415D+01      0.411086D+00      0.457395D+00
   zz         0.639037D+02      0.946955D+01      0.105363D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.102918D+03      0.152509D+02      0.169689D+02
   aniso      0.517546D+02      0.766925D+01      0.853319D+01
   xx         0.129695D+03      0.192188D+02      0.213838D+02
   yx         0.136059D+01      0.201618D+00      0.224331D+00
   yy         0.107907D+03      0.159902D+02      0.177915D+02
   zx        -0.282997D+01     -0.419359D+00     -0.466600D+00
   zy         0.273712D+01      0.405599D+00      0.451290D+00
   zz         0.711516D+02      0.105436D+02      0.117313D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8          2.91630733         -0.54809632         -3.75648775
     6          2.03584781          1.37546607         -2.06379319
     1          3.48471282         -1.96037188         -2.75312639
     1          1.12312838          2.74113870         -3.31901559
     6          4.25077228          2.67799289         -0.77245184
     6          0.03477746          0.32698751         -0.29086232
     1          5.21797949          1.39477620          0.52446011
     1          3.64220597          4.33616565          0.29163633
     1          5.59685222          3.28687707         -2.20588407
     6          0.02233634          0.79733187          2.29921841
     6         -1.86192073         -0.20086528          3.83961783
     6         -3.76341492         -1.68288336          2.80933192
     6         -3.77180702         -2.16364185          0.22373567
     6         -1.89302783         -1.16613933         -1.30662714
     1          1.48516440          1.94665457          3.14284151
     1         -1.83517165          0.18321237          5.84889601
     1         -5.22840408         -2.45955908          4.00686284
     1         -5.24927065         -3.31489933         -0.59936625
     1         -1.88903025         -1.55472256         -3.31441121

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.564733D+00      0.143541D+01      0.478801D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.564733D+00      0.143541D+01      0.478801D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.947761D+02      0.140444D+02      0.156265D+02
   aniso      0.500859D+02      0.742196D+01      0.825805D+01
   xx         0.101919D+03      0.151029D+02      0.168043D+02
   yx         0.224706D+02      0.332980D+01      0.370490D+01
   yy         0.788575D+02      0.116855D+02      0.130018D+02
   zx        -0.116601D+02     -0.172784D+01     -0.192248D+01
   zy         0.214415D+01      0.317730D+00      0.353522D+00
   zz         0.103551D+03      0.153447D+02      0.170733D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.102918D+03      0.152509D+02      0.169689D+02
   aniso      0.517546D+02      0.766925D+01      0.853319D+01
   xx         0.110744D+03      0.164105D+02      0.182591D+02
   yx         0.229288D+02      0.339770D+01      0.378045D+01
   yy         0.863193D+02      0.127912D+02      0.142321D+02
   zx        -0.124721D+02     -0.184818D+01     -0.205637D+01
   zy         0.216860D+01      0.321354D+00      0.357554D+00
   zz         0.111691D+03      0.165509D+02      0.184154D+02

 ----------------------------------------------------------------------
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      SCIENCE SANS CONSCIENCE N'EST QUE RUINE DE L'AME.

                                                  -- RABELAIS
 Job cpu time:       0 days  6 hours  4 minutes  5.7 seconds.
 Elapsed time:       0 days  0 hours 45 minutes 36.8 seconds.
 File lengths (MBytes):  RWF=    251 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:55:47 2021.
